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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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The graphs summarize 690 occurrences of 454 keywords
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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 | Ren Kong, Guangbo Yang, Rui Xue, Ming Liu, Feng Wang, Jianping Hu, Xiaoqiang Guo, Shan Chang |
COVID-19 Docking Server: a meta server for docking small molecules, peptides and antibodies against potential targets of COVID-19. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(20), pp. 5109-5111, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Marcelo Depólo Polêto, Bruno Iochins Grisci, Márcio Dorn, Hugo Verli |
ConfID: an analytical method for conformational characterization of small molecules using molecular dynamics trajectories. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(11), pp. 3576-3577, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Antonino Lauria, Salvatore Mannino, Carla Gentile, Giuseppe Mannino, Annamaria Martorana, Daniele Peri |
DRUDIT: web-based DRUgs DIscovery Tools to design small molecules as modulators of biological targets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(5), pp. 1562-1569, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Robin Winter, Joren Retel, Frank Noé, Djork-Arné Clevert, Andreas Steffen |
grünifai: interactive multiparameter optimization of molecules in a continuous vector space. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(13), pp. 4093-4094, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Somesh Mohapatra, Tzuhsiung Yang, Rafael Gómez-Bombarelli |
Reusability report: Designing organic photoelectronic molecules with descriptor conditional recurrent neural networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nat. Mach. Intell. ![In: Nat. Mach. Intell. 2(12), pp. 749-752, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Donglei Yang, Chunyang Zhou, Fei Gao, Pengfei Wang, Yonggang Ke |
DNA-Guided Assembly of Molecules, Materials, and Cells. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Adv. Intell. Syst. ![In: Adv. Intell. Syst. 2(1), pp. 1900101, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Alexander V. Nemukhin, Bella L. Grigorenko, Igor V. Polyakov, Sofya V. Lushchekina |
Computational Modeling of the SARS-CoV-2 Main Protease Inhibition by the Covalent Binding of Prospective Drug Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Supercomput. Front. Innov. ![In: Supercomput. Front. Innov. 7(3), 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Vadim M. Volokhov, Elena S. Amosova, Alexander V. Volokhov, Tatiana S. Zyubina, David B. Lempert, Leonid S. Yanovskiy, Ilya D. Fateev |
Computer Design of Structure of Molecules of High-Energy Tetrazines. Calculation of Thermochemical Properties. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Supercomput. Front. Innov. ![In: Supercomput. Front. Innov. 7(4), pp. 68-79, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Mustafa Alper Akkas |
Detailed Analysis of Water Vapor with All Isotopologues, Air Gas Mixtures and Air Molecules at Terahertz Range. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Wirel. Pers. Commun. ![In: Wirel. Pers. Commun. 114(2), pp. 1191-1205, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Martine Castellà-Ventura, Alain Moissette, Emile Kassab |
DFT Study of Si/Al Ratio and Confinement Effects on the Energetics and Vibrational Properties of some Aza-Aromatic Molecules Adsorbed on H-ZSM-5 Zeolite. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. ![In: Comput. 8(3), pp. 81, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Kyle Stevens, Thien Tran-Duc, Ngamta Thamwattana, James M. Hill |
Modeling Interactions between Graphene and Heterogeneous Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. ![In: Comput. 8(4), pp. 107, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Jun Zhang, Yaqiang Zhou, Yao-Kun Lei, Yi Isaac Yang, Yi Qin Gao |
Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2012.11816, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Mohammadamin Tavakoli, Pierre Baldi |
Continuous Representation of Molecules Using Graph Variational Autoencoder. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2004.08152, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Ehsan Kabir, Syed Mohammad Ashab Uddin, Sayeed Shafayet Chowdhury |
Optimization of Surface Plasmon Resonance Biosensor for Analysis of Lipid Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2007.08607, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Akshay Subramanian, Utkarsh Saha, Tejasvini Sharma, Naveen K. Tailor, Soumitra Satapathi |
Inverse Design of Potential Singlet Fission Molecules using a Transfer Learning Based Approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2003.07666, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Sebastiano Boscarino, Seung-Yeon Cho, Giovanni Russo 0001, Seok-Bae Yun |
Convergence estimates of a semi-Lagrangian scheme for the ellipsoidal BGK model for polyatomic molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2003.00215, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Brighter Agyemang, Wei-Ping Wu, Daniel Addo, Michael Y. Kpiebaareh, Ebenezer Nanor, Charles Roland Haruna |
Deep Inverse Reinforcement Learning for Structural Evolution of Small Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2008.11804, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Lagnajit Pattanaik, Octavian-Eugen Ganea, Ian Coley, Klavs F. Jensen, William H. Green Jr., Connor W. Coley |
Message Passing Networks for Molecules with Tetrahedral Chirality. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2012.00094, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Johannes Klicpera, Shankari Giri, Johannes T. Margraf, Stephan Günnemann |
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2011.14115, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Romit Maulik, Rajeev Surendran Array, Prasanna Balaprakash |
Site-specific graph neural network for predicting protonation energy of oxygenate molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2001.03136, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Raphael J. L. Townshend, Martin Vögele, Patricia Suriana, Alexander Derry, Alexander S. Powers, Yianni Laloudakis, Sidhika Balachandar, Brandon M. Anderson, Stephan Eismann, Risi Kondor, Russ B. Altman, Ron O. Dror |
ATOM3D: Tasks On Molecules in Three Dimensions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2012.04035, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu, Toshiyuki Yamane, Koji Masuda, Victoria A. Piunova, Dmitry Zubarev, Jed Pitera, Daniel P. Sanders, Daiju Nakano |
AI-driven Inverse Design System for Organic Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2001.09038, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Pengyong Li, Jun Wang 0123, Yixuan Qiao, Hao Chen, Yihuan Yu, Xiaojun Yao, Peng Gao, Guotong Xie, Sen Song |
Learn molecular representations from large-scale unlabeled molecules for drug discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2012.11175, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Tobiasz Cieplinski, Tomasz Danel, Sabina Podlewska, Stanislaw Jastrzebski |
We should at least be able to Design Molecules that Dock Well. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2006.16955, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Marcel F. Langer, Alex Goeßmann, Matthias Rupp |
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2003.12081, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Gustav Sourek, Filip Zelezný, Ondrej Kuzelka |
Learning with Molecules beyond Graph Neural Networks. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2011.03488, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Samuel C. Hoffman, Vijil Chenthamarakshan, Kahini Wadhawan, Pin-Yu Chen, Payel Das |
Optimizing Molecules using Efficient Queries from Property Evaluations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2011.01921, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | |
Generate Novel Molecules With Target Properties Using Conditional Generative Models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2009.12368, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Wengong Jin, Regina Barzilay, Tommi S. Jaakkola |
Composing Molecules with Multiple Property Constraints. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2002.03244, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Wenhao Gao 0001, Connor W. Coley |
The Synthesizability of Molecules Proposed by Generative Models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2002.07007, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Eleni Pitsillou, Julia Liang, Chris Karagiannis, Katherine Ververis, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis |
Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 89, pp. 107408, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Akash Ghosh, Gourisankar Roymahapatra, Debarati Paul, Santi M. Mandal |
Theoretical analysis of bacterial efflux pumps inhibitors: Strategies in-search of competent molecules and develop next. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 87, pp. 107275, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Andrea Bernini, Silvia Galderisi, Ottavia Spiga, Chukwudi Onyekachi Amarabom, Annalisa Santucci |
Transient pockets as mediators of gas molecules routes inside proteins: The case study of dioxygen pathway in homogentisate 1, 2-dioxygenase and its implication in Alkaptonuria development. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 88, pp. 107356, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
12 | Zhaowen Yan, Sen-Yue Lou |
Soliton molecules in Sharma-Tasso-Olver-Burgers equation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Appl. Math. Lett. ![In: Appl. Math. Lett. 104, pp. 106271, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
12 | Zhao Zhang, Xiangyu Yang, Biao Li |
Soliton molecules and novel smooth positons for the complex modified KdV equation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Appl. Math. Lett. ![In: Appl. Math. Lett. 103, pp. 106168, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
12 | Rongxin Xia, Sabre Kais |
Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Entropy ![In: Entropy 22(8), pp. 828, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Marcin Buchowiecki |
On the Complementarity of the Harmonic Oscillator Model and the Classical Wigner-Kirkwood Corrected Partition Functions of Diatomic Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Entropy ![In: Entropy 22(8), pp. 853, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Romina Rega, Martina Mugnano, Emilia Oleandro, Volodymyr Tkachenko, Danila del Giudice, Gianluca Bagnato, Pietro Ferraro, Simonetta Grilli, Sebastiano Gangemi |
Detecting Collagen Molecules at Picogram Level through Electric Field-Induced Accumulation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 20(12), pp. 3567, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Jack Freeland, Lihua Zhang, Shih-Ting Wang, Mason Ruiz, Yong Wang 0039 |
Bent DNA Bows as Sensing Amplifiers for Detecting DNA-Interacting Salts and Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 20(11), pp. 3112, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Andrew Bogard, Gamid Abatchev, Zoe Hutchinson, Jason Ward, Pangaea W. Finn, Fulton McKinney, Daniel Fologea |
Lysenin Channels as Sensors for Ions and Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 20(21), pp. 6099, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Coryandar Gilvary, Jamal Elkhader, Neel Madhukar, Claire Henchcliffe, Marcus D. Goncalves, Olivier Elemento |
A machine learning and network framework to discover new indications for small molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 16(8), 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Ryan E. Pavlovicz, Hahnbeom Park, Frank DiMaio |
Efficient consideration of coordinated water molecules improves computational protein-protein and protein-ligand docking discrimination. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 16(9), 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Zhaowen Yan, Sen-Yue Lou |
Special types of solitons and breather molecules for a (2+1)-dimensional fifth-order KdV equation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Commun. Nonlinear Sci. Numer. Simul. ![In: Commun. Nonlinear Sci. Numer. Simul. 91, pp. 105425, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Jennifer Hemmerich, Ece Asilar, Gerhard F. Ecker |
COVER: conformational oversampling as data augmentation for molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 18, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Pranav Shah, Vishal B. Siramshetty, Alexey V. Zakharov, Noel Southall, Xin Xu, Dac-Trung Nguyen |
Predicting liver cytosol stability of small molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 21, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Yash Khemchandani, Stephen O'Hagan, Soumitra Samanta, Neil Swainston, Timothy J. Roberts, Danushka Bollegala, Douglas B. Kell |
DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 53, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Jie Xu |
Classifying Local Anisotropy Formed by Rigid Molecules: Symmetries and Tensors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SIAM J. Appl. Math. ![In: SIAM J. Appl. Math. 80(6), pp. 2518-2546, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Diptendu Mohan Kar, Indrajit Ray, Jenna Gallegos, Jean Peccoud, Indrakshi Ray |
Synthesizing DNA molecules with identity-based digital signatures to prevent malicious tampering and enabling source attribution. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Secur. ![In: J. Comput. Secur. 28(4), pp. 437-467, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Eitan Rosen, Yoel Shkolnisky |
Common Lines Ab Initio Reconstruction of D2-Symmetric Molecules in Cryo-Electron Microscopy. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SIAM J. Imaging Sci. ![In: SIAM J. Imaging Sci. 13(4), pp. 1898-1944, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Milad R. Vahid, Bernard Hanzon, Raimund J. Ober |
Fisher Information Matrix for Single Molecules with Stochastic Trajectories. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SIAM J. Imaging Sci. ![In: SIAM J. Imaging Sci. 13(1), pp. 234-264, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Heidi Fleischer, Kerstin Thurow |
Compound-oriented Measurement Processes: Elements, Molecules, Structures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
I2MTC ![In: 2020 IEEE International Instrumentation and Measurement Technology Conference, I2MTC 2020, Dubrovnik, Croatia, May 25-28, 2020, pp. 1-6, 2020, IEEE, 978-1-7281-4460-3. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Todor Petkov, Stanislav Popov, Milen Todorov, Stanimir Surchev, Guy De Tré, Maciej Krawczak |
Application of Virtual Reality as a Tool for Structural Analysis of Molecules - Steroids, Pharmaceuticals and Pesticides. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BioInfoMed ![In: Contemporary Methods in Bioinformatics and Biomedicine and Their Applications, BioInfoMed 2020, Burgas, Bulgaria, 8-10 October 2020, pp. 216-223, 2020, Springer, 978-3-030-96637-9. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Fenfen Xie, Lu Wang 0024, Shoude Zhang, Lei Zhang 0103, Xiaoying Wang 0002 |
Research on Key Molecules of Cold and Hot Properties Chinese Herbal Medicine Based on Improved Atomic Association Rules Algorithm and Hierarchical Clustering Algorithm. ![Search on Bibsonomy](Pics/bibsonomy.png) |
DSIT ![In: Proceedings of the 3rd International Conference on Data Science and Information Technology, DSIT 2020, Xiamen, China, July 24-26, 2020, pp. 65-70, 2020, ACM, 978-1-4503-7604-4. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | George Lacey, Annika Marie Schoene, Nina Dethlefs, Alexander P. Turner |
Improving the Transparency of Deep Neural Networks using Artificial Epigenetic Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IJCCI ![In: Proceedings of the 12th International Joint Conference on Computational Intelligence, IJCCI 2020, Budapest, Hungary, November 2-4, 2020., pp. 167-175, 2020, SCITEPRESS, 978-989-758-475-6. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Yashaswi Pathak, Siddhartha Laghuvarapu, Sarvesh Mehta, U. Deva Priyakumar |
Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
AAAI ![In: The Thirty-Fourth AAAI Conference on Artificial Intelligence, AAAI 2020, The Thirty-Second Innovative Applications of Artificial Intelligence Conference, IAAI 2020, The Tenth AAAI Symposium on Educational Advances in Artificial Intelligence, EAAI 2020, New York, NY, USA, February 7-12, 2020., pp. 873-880, 2020, AAAI Press, 978-1-57735-823-7. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Xu Zhao, Haixiang Liu, Xiaoyi Wang, Cong Zhao, Izhar, Benzhong Tang, Yi-Kuen Lee |
A Highly Robust Silicon Nano-pillar Chip for Electroporation Chip for Delivering Molecules to HeLa Cells. ![Search on Bibsonomy](Pics/bibsonomy.png) |
NEMS ![In: 15th IEEE International Conference on Nano/Micro Engineered and Molecular System, NEMS 2020, San Diego, CA, USA, September 27-30, 2020, pp. 230-233, 2020, IEEE, 978-1-7281-7230-9. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Mohammadamin Tavakoli, Pierre Baldi |
Continuous Representation of Molecules using Graph Variational Autoencoder. ![Search on Bibsonomy](Pics/bibsonomy.png) |
AAAI Spring Symposium: MLPS ![In: Proceedings of the AAAI 2020 Spring Symposium on Combining Artificial Intelligence and Machine Learning with Physical Sciences, Stanford, CA, USA, March 23rd - to - 25th, 2020., 2020, CEUR-WS.org. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Tao Song 0001, Yue Zhong, Mao Ding, Renteng Zhao, Qingyu Tian, Zhenzhen Du, Dayan Liu, Jiali Liu, Yufeng Deng |
Repositioning Molecules of Chinese Medicine to Targets of SARS-Cov-2 by Deep Learning Method. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBM ![In: IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2020, Virtual Event, South Korea, December 16-19, 2020, pp. 2306-2312, 2020, IEEE, 978-1-7281-6215-7. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Berta Martínez-Bachs, Stefano Ferrero, Albert Rimola |
Binding Energies of N-Bearing Astrochemically-Relevant Molecules on Water Interstellar Ice Models. A Computational Study. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCSA (3) ![In: Computational Science and Its Applications - ICCSA 2020 - 20th International Conference, Cagliari, Italy, July 1-4, 2020, Proceedings, Part III, pp. 683-692, 2020, Springer, 978-3-030-58807-6. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Vadim M. Volokhov, Tatyana S. Zyubina, Alexander V. Volokhov, Elena S. Amosova, Dmitry Varlamov, David B. Lempert, Leonid S. Yanovskiy |
Predictive Quantum-Chemical Design of Molecules of High-Energy Heterocyclic Compounds. ![Search on Bibsonomy](Pics/bibsonomy.png) |
RuSCDays ![In: Supercomputing - 6th Russian Supercomputing Days, RuSCDays 2020, Moscow, Russia, September 21-22, 2020, Revised Selected Papers, pp. 310-319, 2020, Springer, 978-3-030-64615-8. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Annemarie Pucci |
Infrared Signatures of Interactions between Molecules and Free Charge Carriers in Nanostructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PHOTOPTICS ![In: Proceedings of the 8th International Conference on Photonics, Optics and Laser Technology, PHOTOPTICS 2020, Valletta, Malta, February 27-29, 2020., pp. 9, 2020, SCITEPRESS, 978-989-758-401-5. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Tina Khazaee, Chris J. D. Norley, Hristo N. Nikolov, Steven I. Pollmann, David W. Holdsworth |
Micro-CT imaging technique to characterize diffusion of small-molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Medical Imaging: Biomedical Applications in Molecular, Structural, and Functional Imaging ![In: Medical Imaging 2020: Biomedical Applications in Molecular, Structural, and Functional Imaging, Houston, TX, USA, February 15-20, 2020, pp. 1131715, 2020, SPIE, 9781510634015. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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12 | Ksenia Korovina, Sailun Xu, Kirthevasan Kandasamy, Willie Neiswanger, Barnabás Póczos, Jeff Schneider 0001, Eric P. Xing |
ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
AISTATS ![In: The 23rd International Conference on Artificial Intelligence and Statistics, AISTATS 2020, 26-28 August 2020, Online [Palermo, Sicily, Italy], pp. 3393-3403, 2020, PMLR. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
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12 | Rui Su |
Probing weakly bound long-range Rydberg molecules by quantum beating experiments in rubidium vapor ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2020 |
RDF |
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12 | Annika Stuke |
Machine learning for spectroscopic properties of organic molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2020 |
RDF |
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12 | Jaspreet Kaur Dhanjal, Vidhi Malik, Navaneethan Radhakrishnan, Moolchand Sigar, Anjani Kumari, Durai Sundar |
Computational Protein Engineering Approaches for Effective Design of New Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Encyclopedia of Bioinformatics and Computational Biology (3) ![In: Encyclopedia of Bioinformatics and Computational Biology - Volume 3, pp. 631-643, 2019, Elsevier, 978-0-12-811432-2. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Jeremy M. Hutson, C. Ruth Le Sueur |
bound and field: Programs for calculating bound states of interacting pairs of atoms and molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 241, pp. 1-8, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Dab Brill, Jason B. Giles, Ian S. Haworth, Aiichiro Nakano |
WaterAlignment: Identification of displaced water molecules in molecular docking using Jonker and Volgenant shortest path augmentation for linear assignment. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 244, pp. 324-328, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Vishan Kumar Gupta, Prashant Singh Rana |
Toxicity prediction of small drug molecules of aryl hydrocarbon receptor using a proposed ensemble model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Turkish J. Electr. Eng. Comput. Sci. ![In: Turkish J. Electr. Eng. Comput. Sci. 27(4), pp. 2883-2849, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Martin S. Engler, Bertrand Caron, Lourens E. Veen, Daan P. Geerke, Alan E. Mark, Gunnar W. Klau |
Automated partial atomic charge assignment for drug-like molecules: a fast knapsack approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Algorithms Mol. Biol. ![In: Algorithms Mol. Biol. 14(1), pp. 1:1-1:10, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Suning Liang, Feipeng Wang, Zhengyong Huang, Weigen Chen, Youyuan Wang, Jian Li |
Significantly Improved Electrical Breakdown Strength of Natural Ester Liquid Dielectrics by Doping Ultraviolet Absorbing Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Access ![In: IEEE Access 7, pp. 73448-73454, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Lisa Warczinski, Robert Franke, Volker Staemmler |
ESCAPE: A novel approach for a fast estimation of dynamic correlation energies: Application to large organic molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(28), pp. 2491-2501, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Giorgia Beata, Gianpaolo Perego, Bartolomeo Civalleri |
CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(26), pp. 2329-2338, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Saeedreza Emamian, Tian Lu, Holger Kruse, Hamidreza Emamian |
Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms-in-Molecules Descriptors, Binding Energies, and Energy Components of Symmetry-Adapted Perturbation Theory. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(32), pp. 2868-2881, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Jonathan Campeggio, Antonino Polimeno, Mirco Zerbetto |
DiTe2: Calculating the diffusion tensor for flexible molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(4), pp. 697-705, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Vivek Gavane, Shruti Koulgi, Vinod Jani, Mallikarjunachari V. N. Uppuladinne, Uddhavesh Sonavane, Rajendra Joshi |
TANGO: A high through-put conformation generation and semiempirical method-based optimization tool for ligand molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(7), pp. 900-909, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Chui-Peng Kong, Xin Gao, Ran Jia, Hong-Xing Zhang |
Investigating detailed mechanism of hydrogen molecules adsorbing on single-wall carbon nanotubes using fitted force field parameters containing carbon-carbon interactions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(10), pp. 1073-1083, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Detlev Conrad Mielczarek, Chourouk Nait Saidi, Patrice Paricaud, Laurent Catoire |
Generalized Prediction of Enthalpies of Formation Using DLPNO-CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(6), pp. 768-793, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Roberto Cammi |
The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(26), pp. 2309-2317, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Antonia Freibert, Johannes M. Dieterich, Bernd Hartke |
Exploring self-organization of molecular tether molecules on a gold surface by global structure optimization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(22), pp. 1978-1989, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Naoki Matsuda, Hirotaka Okabe, Ayako Omura, Miki Nakano, Koji Miyake, Toshihiko Nagamura, Hideki Kawai |
In situ Observation of Capturing BTB Molecules from Aqueous Solutions with Hydrophobic DNA Nano-Film. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEICE Trans. Electron. ![In: IEICE Trans. Electron. 102-C(2), pp. 203-206, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Yuya Tanaka, Takahiro Makino, Hisao Ishii |
Influence of Polarity of Polarization Charge Induced by Spontaneous Orientation of Polar Molecules on Electron Injection in Organic Semiconductor Devices. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEICE Trans. Electron. ![In: IEICE Trans. Electron. 102-C(2), pp. 172-175, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Gabriele Macari, Daniele Toti, Fabio Polticelli |
Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 33(10), pp. 887-903, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Eva Nittinger, Paul Gibbons, Charles Eigenbrot, Doug R. Davies, Brigitte Maurer, Christine L. Yu, James R. Kiefer, Andreas Kuglstatter, Jeremy Murray, Daniel F. Ortwine, Yong Tang, Vickie Tsui |
Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 33(3), pp. 307-330, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Ahmed Halilu, Tammar Hussein Ali, Putla Sudarsanam, Suresh K. Bhargava |
Synthesis of Fuel Grade Molecules from Hydroprocessing of Biomass-Derived Compounds Catalyzed by Magnetic Fe(NiFe)O4-SiO2 Nanoparticles. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 11(4), pp. 524, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Przemyslaw Czelen, Beata Szefler |
The Immobilization of ChEMBL474807 Molecules Using Different Classes of Nanostructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 11(8), pp. 980, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Valerii A. Pavlov, Yaroslav V. Shushenachev, Sergey G. Zlotin |
Сhiral and Racemic Fields Concept for Understanding of the Homochirality Origin, Asymmetric Catalysis, Chiral Superstructure Formation from Achiral Molecules, and B-Z DNA Conformational Transition. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 11(5), pp. 649, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Nozomu Suzuki, Yutaka Itabashi |
Possible Roles of Amphiphilic Molecules in the Origin of Biological Homochirality. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 11(8), pp. 966, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Lorentz Jäntschi |
The Eigenproblem Translated for Alignment of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 11(8), pp. 1027, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Surekha Patil, Shivakumar B. Madagi |
Application of machine learning techniques towards classification of drug molecules specific to peptide deformylase against Helicobacter pylori. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Int. J. Bioinform. Res. Appl. ![In: Int. J. Bioinform. Res. Appl. 15(3), pp. 221-242, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Mark Z. Griffiths, Wataru Shinoda |
tSPICA: Temperature- and Pressure-Dependent Coarse-Grained Force Field for Organic Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(9), pp. 3829-3838, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Dmitry V. Zankov, Timur I. Madzhidov, Asima I. Rakhimbekova, Timur Gimadiev, Ramil I. Nugmanov, Marina A. Kazymova, Igor I. Baskin, Alexandre Varnek |
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(11), pp. 4569-4576, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Jacob D. Bowman, William H. Coldren, Steffen Lindert |
Mechanism of Cardiac Troponin C Calcium Sensitivity Modulation by Small Molecules Illuminated by Umbrella Sampling Simulations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(6), pp. 2964-2972, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Andrei L. Lomize, Jacob M. Hage, Kevin Schnitzer, Konstantin Golobokov, Mitchell B. Lafaive, Alexander C. Forsyth, Irina D. Pogozheva |
PerMM: A Web Tool and Database for Analysis of Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(7), pp. 3094-3099, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Malak M. Tfaily, Nikola Tolic, Elin M. Ulrich, Jon R. Sobus, Thomas O. Metz, Justin G. Teeguarden, Ryan S. Renslow |
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(9), pp. 4052-4060, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Marco Foscato, Vishwesh Venkatraman, Vidar R. Jensen |
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(10), pp. 4077-4082, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Jianing Lu, Xuben Hou, Cheng Wang, Yingkai Zhang |
Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(11), pp. 4540-4549, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Lennard Böselt, Dominik Sidler, Tobias Kittelmann, Jürgen Stohner, Daniel Zindel, Trixie Wagner, Sereina Riniker |
Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational Circular Dichroism Spectra Alignment Algorithm. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(5), pp. 1826-1838, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Michal Chojecki, Dorota Rutkowska-Zbik, Tatiana Korona |
Dimerization Behavior of Methyl Chlorophyllide a as the Model of Chlorophyll a in the Presence of Water Molecules - Theoretical Study. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(5), pp. 2123-2140, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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12 | Goar Sánchez-Sanz, Cristina Trujillo |
Cyclohexane-Based Scaffold Molecules Acting as Anion Transport, Anionophores, via Noncovalent Interactions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(5), pp. 2212-2217, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
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