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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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Results
Found 2808 publication records. Showing 2808 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
12 | Kaitlin McCardle |
Building molecules across the periodic table. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nat. Comput. Sci. ![In: Nat. Comput. Sci. 3(6), pp. 478, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | |
A machine learning algorithm for studying how molecules self-assemble and function. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nat. Comput. Sci. ![In: Nat. Comput. Sci. 3(4), pp. 289-290, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Agnieszka Ilnicka, Gisbert Schneider |
Designing molecules with autoencoder networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nat. Comput. Sci. ![In: Nat. Comput. Sci. 3(11), pp. 922-933, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Thomas Chambrion, Eugenio Pozzoli |
Small-time bilinear control of Schrödinger equations with application to rotating linear molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Autom. ![In: Autom. 153, pp. 111028, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Amin Eidi |
Design, Simulation and Fabrication of an Optimized Mass Sensor Based on Electromechanical Resonator for Molecules Detection and Measurement. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Instrum. Meas. Mag. ![In: IEEE Instrum. Meas. Mag. 26(7), pp. 61-67, October 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Minjian Yang, Hanyu Sun, Xue Liu, Xi Xue, Yafeng Deng, Xiaojian Wang |
CMGN: a conditional molecular generation net to design target-specific molecules with desired properties. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Briefings Bioinform. ![In: Briefings Bioinform. 24(4), July 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yanyan Diao, Feng Hu, Zihao Shen, Honglin Li |
MacFrag: segmenting large-scale molecules to obtain diverse fragments with high qualities. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 39(1), January 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Luis Francisco Hernández Sánchez, Bram Burger, Rodrigo Alexander Castro Campos, Stefan Johansson, Pål R. Njølstad, Harald Barsnes, Marc Vaudel |
Extending protein interaction networks using proteoforms and small molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 39(10), October 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yuyang Wang 0005, Changwen Xu, Zijie Li, Amir Barati Farimani |
Denoise Pre-training on Non-equilibrium Molecules for Accurate and Transferable Neural Potentials. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2303.02216, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Haiyang Yu, Meng Liu, Youzhi Luo, Alex Strasser, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji |
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2306.09549, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Atabey Ünlü, Elif Çevrim, Ahmet Sarigün, Hayriye Çelikbilek, Heval Atas Güvenilir, Altay Koyas, Deniz Cansen Kahraman, Abdurrahman Olgaç, Ahmet Süreyya Rifaioglu, Tunca Dogan |
Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2302.07868, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Siyuan Guo, Jihong Guan, Shuigeng Zhou |
Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2310.04463, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Shehtab Zaman, Denis Akhiyarov, Mauricio Araya-Polo, Kenneth Chiu |
STRIDE: Structure-guided Generation for Inverse Design of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2311.06297, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Tom Wollschläger, Nicholas Gao, Bertrand Charpentier, Mohamed Amine Ketata, Stephan Günnemann |
Uncertainty Estimation for Molecules: Desiderata and Methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2306.14916, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Jinming Fan, Chao Qian 0016, Shaodong Zhou |
Neural Network Driven, Interactive Design for Nonlinear Optical Molecules Based on Group Contribution Method. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2309.08570, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Jan Schuchardt, Yan Scholten, Stephan Günnemann |
(Provable) Adversarial Robustness for Group Equivariant Tasks: Graphs, Point Clouds, Molecules, and More. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2312.02708, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Adam Hájek, Michal Starý, Filip Jozefov, Helge Hecht, Elliott James Price, Ales Krenek |
De-novo Identification of Small Molecules from Their GC-EI-MS Spectra. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2304.01634, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Mayk Caldas Ramos, Andrew D. White |
Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2307.05318, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Shengchao Liu, Weitao Du, Yanjing Li, Zhuoxinran Li, Zhiling Zheng, Chenru Duan, Zhiming Ma, Omar Yaghi, Anima Anandkumar, Christian Borgs, Jennifer T. Chayes, Hongyu Guo, Jian Tang 0005 |
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2306.09375, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Ryan-Rhys Griffiths |
Applications of Gaussian Processes at Extreme Lengthscales: From Molecules to Black Holes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2303.14291, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Zequn Liu, Wei Zhang, Yingce Xia, Lijun Wu, Shufang Xie 0003, Tao Qin 0001, Ming Zhang 0004, Tie-Yan Liu |
MolXPT: Wrapping Molecules with Text for Generative Pre-training. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2305.10688, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Zhiyuan Liu, Yaorui Shi, An Zhang 0003, Enzhi Zhang, Kenji Kawaguchi, Xiang Wang 0010, Tat-Seng Chua |
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2310.14753, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Daniel Manu, Jingjing Yao, Wuji Liu, Xiang Sun 0001 |
GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2304.05498, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Hang Hu 0017, Hsu Kiang Ooi, Mohammad Sajjad Ghaemi, Anguang Hu |
Machine learning for the prediction of safe and biologically active organophosphorus molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2302.10952, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Maho Nakata, Toshiyuki Maeda |
PubChemQC B3LYP/6-31G*//PM6 dataset: the Electronic Structures of 86 Million Molecules using B3LYP/6-31G* calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2305.18454, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Lei Huang, Zheng Yuan 0002, Huihui Yan, Rong Sheng, Linjing Liu, Fuzhou Wang, Weidun Xie, Nanjun Chen, Fei Huang 0004, Songfang Huang, Ka-Chun Wong, Yaoyun Zhang |
DiffDTM: A conditional structure-free framework for bioactive molecules generation targeted for dual proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2306.13957, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yue Wan, Jialu Wu, Tingjun Hou, Chang-Yu Hsieh, Xiaowei Jia |
From molecules to scaffolds to functional groups: building context-dependent molecular representation via multi-channel learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2311.02798, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Daniel Flam-Shepherd, Alán Aspuru-Guzik |
Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2305.05708, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Raj Ghugare, Santiago Miret, Adriana Hugessen, Mariano Phielipp, Glen Berseth |
Searching for High-Value Molecules Using Reinforcement Learning and Transformers. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2310.02902, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Leon Hetzel, Johanna Sommer, Bastian Rieck, Fabian J. Theis, Stephan Günnemann |
MAGNet: Motif-Agnostic Generation of Molecules from Shapes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2305.19303, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Vivin Vinod, Sayan Maity, Peter Zaspel, Ulrich Kleinekathöfer |
Multi-Fidelity Machine Learning for Excited State Energies of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2305.11292, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Collin Beaudoin, Koustubh Phalak, Swaroop Ghosh |
Predicting Side Effect of Drug Molecules using Recurrent Neural Networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2305.10473, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yahya Saleh, Álvaro Fernández Corral, Armin Iske, Jochen Küpper, Andrey Yachmenev |
Computing excited states of molecules using normalizing flows. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2308.16468, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Lukas Brand, Maike Scherer, Sebastian Lotter, Maximilian Schäfer, Andreas Burkovski, Heinrich Sticht, Kathrin Castiglione, Robert Schober |
Switchable Signaling Molecules for Media Modulation: Fundamentals, Applications, and Research Directions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2302.10356, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Ayana Ghosh, Sergei V. Kalinin, Maxim A. Ziatdinov |
Discovery of structure-property relations for molecules via hypothesis-driven active learning over the chemical space. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2301.02665, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Samuel Goldman, John Bradshaw, Jiayi Xin, Connor W. Coley |
Prefix-tree Decoding for Predicting Mass Spectra from Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2303.06470, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Özgür Baris Akan, Ergin Dinc, Murat Kuscu, Oktay Cetinkaya, Bilgesu Arif Bilgin |
Internet of Everything (IoE) - From Molecules to the Universe. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2301.03374, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Emanuele Cavalleri, Alberto Cabri, Mauricio Soto Gomez, Sara Bonfitto, Paolo Perlasca, Jessica Gliozzo, Tiffany J. Callahan, Justin T. Reese, Peter N. Robinson, Elena Casiraghi, Giorgio Valentini, Marco Mesiti |
RNA-KG: An ontology-based knowledge graph for representing interactions involving RNA molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2312.00183, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Nima Shoghi, Adeesh Kolluru, John R. Kitchin, Zachary W. Ulissi, C. Lawrence Zitnick, Brandon M. Wood |
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2310.16802, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Pawan Gupta, Swati Gupta, Sukrat Sinha, Shanthy Sundaram, Vishnu K. Sharma, Anjana Munshi |
In silico phytochemical repurposing of natural molecules as entry inhibitors against RBD of the spike protein of SARS-CoV-2 using molecular docking studies. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Int. J. Comput. Biol. Drug Des. ![In: Int. J. Comput. Biol. Drug Des. 15(4), pp. 267-288, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Jing Jiang, Ruisheng Zhang, Jun Ma, Yunwu Liu, Enjie Yang, Shikang Du, Zhili Zhao, Yongna Yuan |
TranGRU: focusing on both the local and global information of molecules for molecular property prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Appl. Intell. ![In: Appl. Intell. 53(12), pp. 15246-15260, June 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Mansi Goel, Aditi Sharma, Ayush Singh Chilwal, Sakshi Kumari, Ayush Kumar, Ganesh Bagler |
Machine learning models to predict sweetness of molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Medicine ![In: Comput. Biol. Medicine 152, pp. 106441, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Sobia Ahsan Halim, Muhammad Waqas, Ajmal Khan, Hanan A. Ogaly, Gehan Othman, Ahmed Al-Harrasi |
Identification of potential agonist-like molecules for α2-adrenergic receptor by multi-layer virtual screening to combat sinusitis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Medicine ![In: Comput. Biol. Medicine 167, pp. 107693, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Priyanka Samanta, Robert J. Doerksen |
Identifying FmlH lectin-binding small molecules for the prevention of Escherichia coli-induced urinary tract infections using hybrid fragment-based design and molecular docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Medicine ![In: Comput. Biol. Medicine 163, pp. 107072, September 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Arun Singh Bhadwal, Kamal Kumar 0003, Neeraj Kumar 0001 |
GenSMILES: An enhanced validity conscious representation for inverse design of molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Knowl. Based Syst. ![In: Knowl. Based Syst. 268, pp. 110429, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Wanxia Zhao, Zeyad T. Alwahabi |
Two-dimensional imaging of excited N2 molecules produced in an air purification device. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Vis. ![In: J. Vis. 26(3), pp. 509-516, June 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Kazuo Takatsuka |
Quantum Chaos in the Dynamics of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Entropy ![In: Entropy 25(1), pp. 63, January 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Karo Michaelian |
The Non-Equilibrium Thermodynamics of Natural Selection: From Molecules to the Biosphere. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Entropy ![In: Entropy 25(7), pp. 1059, July 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Ilya Gorbachev, Andrey Smirnov, George R. Ivanov, Tony Venelinov, Anna Amova, Elizaveta Datsuk, Vladimir Anisimkin, Iren Kuznetsova, Vladimir Kolesov |
Langmuir-Blodgett Films with Immobilized Glucose Oxidase Enzyme Molecules for Acoustic Glucose Sensor Application. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 23(11), pp. 5290, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Ruiqi Zhao, Yu Feng, Haotian Ling, Xudong Zou, Meng Wang, Guizhen Lu |
Enhanced Terahertz Fingerprint Sensing Mechanism Study of Tiny Molecules Based on Tunable Spoof Surface Plasmon Polaritons on Composite Periodic Groove Structures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 23(5), pp. 2496, March 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Asma Wasfi, Ahmed Al Hamarna, Omar Mohammed Hasani Al Shehhi, Hazza Fahad Muhsen Al Ameri, Falah Awwad |
Graphene Nanoribbon Field Effect Transistor Simulations for the Detection of Sugar Molecules: Semi-Empirical Modeling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 23(6), pp. 3010, March 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Sri Agung Fitri Kusuma, Jacko Abiwaqash Harmonis, Rimadani Pratiwi, Aliya Nur Hasanah |
Gold Nanoparticle-Based Colorimetric Sensors: Properties and Application in Detection of Heavy Metals and Biological Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 23(19), pp. 8172, October 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Chao Hu, Song Li, Chenxing Yang, Jun Chen, Yi Xiong, Guisheng Fan, Hao Liu, Liang Hong |
ScaffoldGVAE: scaffold generation and hopping of drug molecules via a variational autoencoder based on multi-view graph neural networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 91, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Ibrahim Roshan Kunnakkattu, Preeti Choudhary, Lukás Pravda, Nurul Nadzirin, Oliver S. Smart, Qi Yuan, Stephen Anyango, Sreenath Nair, Mihaly Varadi, Sameer Velankar |
PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 117, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Filippo Lunghini, Anna Fava, Vincenzo Pisapia, Francesco Sacco, Daniela Iaconis, Andrea Rosario Beccari |
ProfhEX: AI-based platform for small molecules liability profiling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 60, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Xiaohong Liu 0002, Wei Zhang, Xiaochu Tong, Feisheng Zhong, Zhaojun Li, Zhaoping Xiong, Jiacheng Xiong, Xiaolong Wu, Zunyun Fu, Xiaoqin Tan, Zhiguo Liu, Sulin Zhang, Hualiang Jiang, Xutong Li, Mingyue Zheng |
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 42, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Henry Heberle, Linlin Zhao, Sebastian Schmidt, Thomas Wolf, Julian Heinrich |
XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 2, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Jorge Medina, Andrew D. White |
Bloom filters for molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 95, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Lai Wei 0008, Nihang Fu, Yuqi Song, Qian Wang, Jianjun Hu |
Probabilistic generative transformer language models for generative design of molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 88, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | William Margerit, Antoine Charpentier, Cathy Maugis-Rabusseau, Johann Christian Schön, Nathalie Tarrat, Juan Cortés |
IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Algorithms ![In: Algorithms 16(10), pp. 476, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | J. Dai, Roman V. Krems |
Neural network Gaussian processes as efficient models of potential energy surfaces for polyatomic molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Mach. Learn. Sci. Technol. ![In: Mach. Learn. Sci. Technol. 4(4), pp. 45027, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Adi Shasha Geva, Yoel Shkolnisky |
A Common Lines Approach for Ab Initio Modeling of Molecules with Tetrahedral and Octahedral Symmetry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SIAM J. Imaging Sci. ![In: SIAM J. Imaging Sci. 16(4), pp. 1978-2014, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Chen Li 0027, Yoshihiro Yamanishi |
SpotGAN: A Reverse-Transformer GAN Generates Scaffold-Constrained Molecules with Property Optimization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ECML/PKDD (1) ![In: Machine Learning and Knowledge Discovery in Databases: Research Track - European Conference, ECML PKDD 2023, Turin, Italy, September 18-22, 2023, Proceedings, Part I, pp. 323-338, 2023, Springer, 978-3-031-43411-2. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Sally Turutov, Kira Radinsky |
Generating Optimized Molecules without Patent Infringement. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CIKM ![In: Proceedings of the 32nd ACM International Conference on Information and Knowledge Management, CIKM 2023, Birmingham, United Kingdom, October 21-25, 2023, pp. 4850-4856, 2023, ACM. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yang Zhang, Jie Li 0006, Chao Xu 0003 |
Graph-based Latent Space Traversal for New Molecules Discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
VINCI ![In: Proceedings of the 16th International Symposium on Visual Information Communication and Interaction, VINCI 2023, Guangzhou, China, September 22-24, 2023, pp. 26:1-26:8, 2023, ACM. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Sara Corazza, Fabio Pittarello, Marta Simeoni |
3D Molecules Visualization with XRmol: An AR Web Tool for Mobile Devices. ![Search on Bibsonomy](Pics/bibsonomy.png) |
EuroXR ![In: Virtual Reality and Mixed Reality - 20th EuroXR International Conference, EuroXR 2023, Rotterdam, The Netherlands, November 29 - December 1, 2023, Proceedings, pp. 136-149, 2023, Springer, 978-3-031-48494-0. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Hang Hu 0017, Hsu Kiang Ooi, Mohammad Sajjad Ghaemi, Anguang Hu |
Machine learning for the prediction of safe and biologically active organophosphorus molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Canadian AI ![In: 36th Canadian Conference on Artificial Intelligence, Canadian AI, CANAI 2023, Montreal, Canada, June 5-9, 2023, Proceedings, 2023, Canadian Artificial Intelligence Association. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Rodney Renato de Souza Silva, Ricardo Cerri |
Constructive Machine Learning and Hierarchical Multi-label Classification for Molecules Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BRACIS (2) ![In: Intelligent Systems - 12th Brazilian Conference, BRACIS 2023, Belo Horizonte, Brazil, September 25-29, 2023, Proceedings, Part II, pp. 276-290, 2023, Springer, 978-3-031-45388-5. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Xin Zhang, Quan Zou 0001 |
Virtual Screening of Traditional Chinese Medicine for Discovery of Potential Anti-SARS-CoV-2 Lead Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICBBT ![In: Proceedings of the 15th International Conference on Bioinformatics and Biomedical Technology, ICBBT 2023, Xi'an, China, May 26-28, 2023, pp. 238-242, 2023, ACM. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Chaoming Gu, Zhoubin Yu, Zhi Ye, Xiaojie Li, Chuanhong Jin, Yang Liu, Xin Zhu, Zhen Cao, Xiao Yu |
Identification of Different Protein Molecules Using MoS2-Graphene Heterostructure Nanopores. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NEMS ![In: 18th IEEE International Conference on Nano/Micro Engineered and Molecular Systems, NEMS 2023, Jeju Island, Korea, Republic of, May 14-17, 2023, pp. 242-245, 2023, IEEE, 979-8-3503-3348-0. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Shah Ishmam Mohtashim, Sheikh Mahatabuddin, Md. Abdul Jabbar |
Harnessing the VQE to Simulate Quantum Chemistry in an Undergraduate Project: Properties of Hydrogen, Oxygen and Water Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
QCE ![In: IEEE International Conference on Quantum Computing and Engineering, QCE 2023, Bellevue, WA, USA, September 17-22, 2023, pp. 94-100, 2023, IEEE, 979-8-3503-4323-6. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Sayeh Rezaee, César Nieto, Abhyudai Singh |
Optimizing Precision in Cellular Clocks Through Self-Regulated Accumulation Of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICSTCC ![In: 27th International Conference on System Theory, Control and Computing, ICSTCC 2023, Timisoara, Romania, October 11-13, 2023, pp. 505-510, 2023, IEEE, 979-8-3503-3798-3. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Qinglian Zhu, Xiaoli Lin, Xiaolong Zhang |
Generating Molecules Conditional on 3D Protein Pockets with HGAF. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBM ![In: IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2023, Istanbul, Turkiye, December 5-8, 2023, pp. 446-449, 2023, IEEE, 979-8-3503-3748-8. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Martina Brunetti, Paola Paci, Giulia Fiscon |
A network-based bioinformatic analysis for identifying potential repurposable active molecules in different types of human cancers. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBM ![In: IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2023, Istanbul, Turkiye, December 5-8, 2023, pp. 3626-3631, 2023, IEEE, 979-8-3503-3748-8. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Wenqi Shi, Mio Murakoso, Xiaoyan Guo, Linxi Xiong, Matthew Chen, May D. Wang |
Effective Surrogate Models for Docking Scores Prediction of Candidate Drug Molecules on SARS-CoV-2 Protein Targets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBM ![In: IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2023, Istanbul, Turkiye, December 5-8, 2023, pp. 4235-4242, 2023, IEEE, 979-8-3503-3748-8. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Marco Parriani, Michele Alagia, Robert Richter, Stefano Stranges, Andrea Giustini, Simonetta Cavalli, Fernando Pirani, Franco Vecchiocattivi |
Fragmentation Dynamics of Astrochemical Molecules Induced by UV and EUV Photons. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCSA (Workshops 2) ![In: Computational Science and Its Applications - ICCSA 2023 Workshops - Athens, Greece, July 3-6, 2023, Proceedings, Part II, pp. 693-704, 2023, Springer, 978-3-031-37107-3. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Haiyang Yu, Meng Liu, Youzhi Luo, Alex Strasser, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji |
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023., 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Shengchao Liu, Weitao Du, Yanjing Li, Zhuoxinran Li, Zhiling Zheng, Chenru Duan, Zhi-Ming Ma, Omar Yaghi, Animashree Anandkumar, Christian Borgs, Jennifer T. Chayes, Hongyu Guo, Jian Tang 0005 |
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023., 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Zhiyuan Liu, Yaorui Shi, An Zhang 0003, Enzhi Zhang, Kenji Kawaguchi, Xiang Wang, Tat-Seng Chua |
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023., 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Samuel Goldman, John Bradshaw, Jiayi Xin, Connor W. Coley |
Prefix-Tree Decoding for Predicting Mass Spectra from Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023., 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Jan Schuchardt, Yan Scholten, Stephan Günnemann |
(Provable) Adversarial Robustness for Group Equivariant Tasks: Graphs, Point Clouds, Molecules, and More. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NeurIPS ![In: Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, NeurIPS 2023, New Orleans, LA, USA, December 10 - 16, 2023., 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Julio J. Valdés, Alain B. Tchagang |
Approximating the Atomic Composition of Drug-like Molecules from Quantum Derived Properties: Inverse Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IJCNN ![In: International Joint Conference on Neural Networks, IJCNN 2023, Gold Coast, Australia, June 18-23, 2023, pp. 1-8, 2023, IEEE, 978-1-6654-8867-9. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Ya-Lin Chen |
Combining Sequence Similarity with Physicochemical Properties to Predict Binders for MHC-II Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
MIE ![In: Caring is Sharing - Exploiting the Value in Data for Health and Innovation - Proceedings of MIE 2023, Gothenburg, Sweden, 22 - 25 May 2023., pp. 1067-1068, 2023, IOS Press, 978-1-64368-388-1. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yutong Xie, Ziqiao Xu, Jiaqi Ma 0001, Qiaozhu Mei |
How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICLR ![In: The Eleventh International Conference on Learning Representations, ICLR 2023, Kigali, Rwanda, May 1-5, 2023, 2023, OpenReview.net. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Jun Xia, Chengshuai Zhao, Bozhen Hu, Zhangyang Gao, Cheng Tan 0012, Yue Liu 0008, Siyuan Li, Stan Z. Li |
Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICLR ![In: The Eleventh International Conference on Learning Representations, ICLR 2023, Kigali, Rwanda, May 1-5, 2023, 2023, OpenReview.net. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Keir Adams, Connor W. Coley |
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICLR ![In: The Eleventh International Conference on Learning Representations, ICLR 2023, Kigali, Rwanda, May 1-5, 2023, 2023, OpenReview.net. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Tom Wollschläger, Nicholas Gao, Bertrand Charpentier, Mohamed Amine Ketata, Stephan Günnemann |
Uncertainty Estimation for Molecules: Desiderata and Methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICML ![In: International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA., pp. 37133-37156, 2023, PMLR. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP BibTeX RDF |
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12 | Zequn Liu, Wei Zhang, Yingce Xia, Lijun Wu, Shufang Xie 0003, Tao Qin 0001, Ming Zhang 0004, Tie-Yan Liu |
MolXPT: Wrapping Molecules with Text for Generative Pre-training. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACL (2) ![In: Proceedings of the 61st Annual Meeting of the Association for Computational Linguistics (Volume 2: Short Papers), ACL 2023, Toronto, Canada, July 9-14, 2023., pp. 1606-1616, 2023, Association for Computational Linguistics. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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12 | Yee Jia Ooi, Krisya Nicole G. Aung, Jia Wen Chong, Raymond R. Tan, Kathleen B. Aviso, Nishanth G. Chemmangattuvalappil |
Design of fragrance molecules using computer-aided molecular design with machine learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Chem. Eng. ![In: Comput. Chem. Eng. 157, pp. 107585, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Subodh Khire, Nityananda Sahu, Shridhar R. Gadre |
MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 270, pp. 108175, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Alexey Nazarov, Anatoly I. Ivanov |
Principles of modeling the fluorescence spectral dynamics of dye molecules in solutions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 270, pp. 108178, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Clarice de Souza, Micael Oliveira, João Alfredo Bessa, Kelson Mota, Rosiane de Freitas |
3D structural prediction, analysis and validation of Sars-Cov-2 protein molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CLEI Electron. J. ![In: CLEI Electron. J. 25(2), 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Andrew E. Blanchard, Mayanka Chandra Shekar, Shang Gao 0008, John Gounley, Isaac Lyngaas, Jens Glaser, Debsindhu Bhowmik |
Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Trans. Evol. Comput. ![In: IEEE Trans. Evol. Comput. 26(4), pp. 793-799, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Lokendra Chouhan, Mohamed-Slim Alouini |
Rescaled Brownian Motion of Molecules and Devices in Three-Dimensional Multiuser Mobile Molecular Communication Systems. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Trans. Wirel. Commun. ![In: IEEE Trans. Wirel. Commun. 21(12), pp. 10472-10488, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Modjtaba Ghorbani, Mardjan Hakimi-Nezhaad |
Analytical discussion on Sugammadex molecules by means of graph invariants. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Appl. Math. Comput. ![In: J. Appl. Math. Comput. 68(6), pp. 4507-4536, December 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Tingyue Xie, Ping Wang, Cuifeng Tian, Guozheng Zhao, Jianfeng Jia, Chaozheng He, Chenxu Zhao, Haishun Wu |
The Investigation of Adsorption Behavior of Gas Molecules on FeN3-Doped Graphene. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Sensors ![In: J. Sensors 2022, pp. 1-8, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Steve Scheiner |
On the reliability of atoms in molecules, noncovalent index, and natural bond orbital to identify and quantify noncovalent bonds. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 43(26), pp. 1814-1824, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Zi Li, Yong Yang, Tianlv Xu, Herbert Früchtl, Tanja Van Mourik, Martin J. Paterson, Yasuteru Shigeta, Steven R. Kirk, Samantha Jenkins |
Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 43(3), pp. 206-214, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Brandon D. Walker, Chengwen Liu, Elizabeth Wait, Pengyu Y. Ren |
Automation of AMOEBA polarizable force field for small molecules: Poltype 2. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 43(23), pp. 1530-1542, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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12 | Irén Simkó, Kalyani Chordiya, Attila G. Császár, Mousumi Upadhyay Kahaly, Tamás Szidarovszky |
A quantum-chemical perspective on the laser-induced alignment and orientation dynamics of the CH3X (X = F, Cl, Br, I) molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 43(8), pp. 519-538, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
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