Search results for "drug-discovery"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
94	Shih-Fang Lin, Ke-Ting Xiao, Yu-Ting Huang, Von-Wun Soo	A Tool for Finding Possible Explanation for Adverse Drug Reactions Through Drug and Drug Target Interactions.	BMEI (1)	2008	DBLP DOI BibTeX RDF	Adverse Drug Reaction, Drug Target Ontology, Drug Target Network, Clustering Coefficient
90	Abiola Oduguwa, Ashutosh Tiwari, S. Fiorentino, Rajkumar Roy	Multi-objective optimisation of the protein-ligand docking problem in drug discovery.	GECCO	2006	DBLP DOI BibTeX RDF	evolutionary computing, drug discovery, multi-objective optimisation, protein-ligand docking
83	Francesco Archetti, Stefano Lanzeni, Enza Messina, Leonardo Vanneschi	Genetic programming for computational pharmacokinetics in drug discovery and development.	Genet. Program. Evolvable Mach.	2007	DBLP DOI BibTeX RDF	Computational pharmacokinetics, Genetic programming, Drug discovery
63	Hisham El-Shishiny, T. H. Soliman, M. El-Asmar	Mining drug targets based on microarray experiments.	ISCC	2008	DBLP DOI BibTeX RDF
61	Rahul Singh, Elinor Velasquez, Preet Vijayant, Emmanuel R. Yera	FreeFlowDB: Storage, Querying and Interacting with Structure-Activity Information from High-Throughput Drug Discovery.	CBMS	2006	DBLP DOI BibTeX RDF
61	Manuel C. Peitsch	Grid Computing in Drug Discovery.	CCGRID	2006	DBLP DOI BibTeX RDF
57	Marc Weeber	Drug Discovery as an Example of Literature-Based Discovery.	Computational Discovery of Scientific Knowledge	2007	DBLP DOI BibTeX RDF
56	Hisham El-Shishiny, Taysir Hassan A. Soliman, Ibrahim Emam	Mining Drug Targets: The Challenges and a Proposed Framework.	ISCC	2006	DBLP DOI BibTeX RDF
56	Zina Ben-Miled, S. Li, Jesse Martin, Chavali Balagopalakrishna, Omran A. Bukhres, Robert J. Oppelt	Load Balancing: A Case Study of a Pharmaceutical Drug Candidate Database.	BIBE	2003	DBLP DOI BibTeX RDF
52	Ying Zhao 0006, Charles Zhou, Ian Oglesby, Cliff Zhou	Large-scale Drug Function Prediction by Integrating QIS D2 and BioSpice.	CSB Workshops	2005	DBLP DOI BibTeX RDF	largescale prediction, toxicity, in silico screening, data mining, text mining, Adaptive learning, drug discovery, efficacy
47	Davide Prandi	A Formal Approach to Molecular Docking.	CMSB	2006	DBLP DOI BibTeX RDF	Formal Methods, Systems Biology, Process Calculi, Molecular Docking, Drug Discovery
44	Jianyin Lu, Keichi Asakura, Akira Amano, Tetsuya Matsuda	In Silico Drug Action Estimation from Cardiac Action Potentials by Model Fitting in a Sampled Parameter Space.	LSMS (1)	2007	DBLP DOI BibTeX RDF
38	Xiao Dong, David J. Wild 0001	An Automatic Drug Discovery Workflow Generation Tool Using Semantic Web Technologies.	eScience	2008	DBLP DOI BibTeX RDF	chemical informatics, workflow, semantic web service, drug discovery
38	Jincheol B. Kim, Nguyen Dang Nhan, Seehoon Lee, Soonwook Hwang, Vincent Breton	DrugScreener-G: Towards an Integrated Environment for Grid-Enabled Large-Scale Virtual Screening and Drug Discovery.	eScience	2008	DBLP DOI BibTeX RDF	plugin architecture, multi-Grid platform, Grid computing, interoperability, virtual screening, integrated environment, drug discovery
38	Liangying Luo, Ruisheng Zhang, Chunyan Zhang, Xiaoliang Fan, Lian Li 0003	Workflow Technology for Drug Discovery.	GPC Workshops	2008	DBLP DOI BibTeX RDF	eSOC System, grid, software, drug discovery, workflow technology
37	Gen Kawamura, Masato Kitajima, Kentaro Wakatsuki, Takehiro Furudate, Takahiro Kosaka, Kazuto Yamazaki, Reiji Teramoto, Susumu Date, Shinji Shimojo, Hideo Matsuda	A Grid-based Information Integration System for Drug Discovery.	ICDE Workshops	2005	DBLP DOI BibTeX RDF
37	Luc Dehaspe	From Promising to Profitable Applications of ILP: A Case Study in Drug Discovery.	ILP	2004	DBLP DOI BibTeX RDF
37	Shudong Chen, Wenju Zhang, Fanyuan Ma, Jianhua Shen	A Cooperative Computing Platform for Drug Discovery and Design.	IEEE SCC	2004	DBLP DOI BibTeX RDF	Peer-to-Peer, Cluster Computing, Application Scheduling, Cycle-sharing
36	Susie Stephens, Alfredo Morales, Matthew Quinlan	Applying Semantic Web Technologies to Drug Safety Determination.	IEEE Intell. Syst.	2006	DBLP DOI BibTeX RDF	drug safety, RDF data model, Semantic Web
36	Achim Kless, Tatjana Eitrich	Cytochrome P450 Classification of Drugs with Support Vector Machines Implementing the Nearest Point Algorithm.	KELSI	2004	DBLP DOI BibTeX RDF
36	Axel J. Soto, Ignacio Ponzoni, Gustavo E. Vazquez	Segregating Confident Predictions of Chemicals' Properties for Virtual Screening of Drugs.	IWANN (2)	2009	DBLP DOI BibTeX RDF	Unsupervised Learning, Supervised Learning, Applicability Domain, Drug Discovery
34	Jaroslava Halova, Oldrich Strouf, Premysl Zak, Anna Sochorova, Noritaka Uchida, Hiroshi Okimoto, Tomoaki Yuzuri, Kazuhisa Sakakibara, Minoru Hirota	Computer Aided Hypothesis Based Drug Discovery Using CATALYSTRTM and PC GUHA Software Systems (A Case Study of Catechol Analogs Against Malignant Melanoma).	Discovery Science	1998	DBLP DOI BibTeX RDF
31	Wenju Zhang, Xuefeng Du, Fanyuan Ma, Jun Zhang, Jianhua Shen	DDGrid: Harness the Full Power of Supercomputing Systems.	GCC Workshops	2006	DBLP DOI BibTeX RDF
31	Yi Zheng, Hui Peng, Xiaocai Zhang, Zhixun Zhao, Xiaoying Gao, Jinyan Li 0001	Old drug repositioning and new drug discovery through similarity learning from drug-target joint feature spaces.	BMC Bioinform.	2019	DBLP DOI BibTeX RDF
31	Sarah L. Kinnings, Nina Liu, Nancy Buchmeier, Peter J. Tonge, Lei Xie 0006, Philip E. Bourne	Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis.	PLoS Comput. Biol.	2009	DBLP DOI BibTeX RDF
28	Ayush Garg, Shyam Sundar Das, Narayanan Ramamurthi	AutoML in Drug Discovery: Side-Effects Prediction Using AutoGluon Framework and Its Applications in Drug Discovery.	BCB	2023	DBLP DOI BibTeX RDF
28	Maciej Wójcikowski, Piotr Zielenkiewicz, Pawel Siedlecki	Open Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery field.	J. Cheminformatics	2015	DBLP DOI BibTeX RDF
28	Xiaoqing Liu, Zhilong Xiu, Ce Hao	Drug-resistant molecular mechanism of CRF01_AE HIV-1 protease due to V82F mutation.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	CRF01_AE HIV-1 protease, Inhibitor, Mutation, Resistance, Molecular dynamics simulation
26	Jörg D. Wichard, Sebastian Bandholtz, Carsten Grötzinger, Ronald Kühne	Topology Preserving Neural Networks for Peptide Design in Drug Discovery.	CIBB	2008	DBLP DOI BibTeX RDF
26	Icíar Dominguez Lacasa	Capturing the changes in the knowledge base underlying drug discovery and development in the 20th century and the adjustment of Bayer, Hoechst, Schering AG and E. Merck to the advent of modern biotechnology.	Scientometrics	2006	DBLP DOI BibTeX RDF
26	Christian Borgelt, Michael R. Berthold, David E. Patterson	Molecular Fragment Mining for Drug Discovery.	ECSQARU	2005	DBLP DOI BibTeX RDF
26	Takahiro Kosaka, Susumu Date, Hideo Matsuda, Shinji Shimojo	Designing a Rule-Based Environment to Interoperate Life-Scientific Ontologies for Drug Discovery.	SAINT Workshops	2005	DBLP DOI BibTeX RDF
26	Yukako Tohsato, Takahiro Kosaka, Susumu Date, Shinji Shimojo, Hideo Matsuda	Heterogeneous Database Federation Using Grid Technology for Drug Discovery Process.	LSGRID	2004	DBLP DOI BibTeX RDF
26	Abiola Oduguwa, Ashutosh Tiwari, Rajkumar Roy, Conrad Bessant	An Overview of Soft Computing Techniques Used in the Drug Discovery Process.	WSC	2004	DBLP DOI BibTeX RDF
26	Shudong Chen, Wenju Zhang, Fanyuan Ma, Jianhua Shen, Minglu Li 0001	The Design of a Grid Computing System for Drug Discovery and Design.	GCC	2004	DBLP DOI BibTeX RDF
26	William B. Langdon, S. J. Barrett, Bernard F. Buxton	Combining Decision Trees and Neural Networks for Drug Discovery.	EuroGP	2002	DBLP DOI BibTeX RDF
24	Josefin Rosén, Anders Lövgren, Thierry Kogej, Sorel Muresan, Johan Gottfries, Anders Backlund	ChemGPS-NPWeb: chemical space navigation online.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	ChemGPS-NP, Natural products, Chemical space, Internet tool, Biologically active compounds, Drug discovery
24	Nathan Brown	Chemoinformatics - an introduction for computer scientists.	ACM Comput. Surv.	2009	DBLP DOI BibTeX RDF	molecular modeling, drug discovery, docking, QSAR, Chemoinformatics, chemometrics
24	Ting Chen, Yongjian Wang, Yuanqiang Huang, Cheng Luo, Depei Qian, Zhongzhi Luan	A Two-Phase Log-Based Fault Recovery Mechanism in Master/Worker Based Computing Environment.	ISPA	2009	DBLP DOI BibTeX RDF	log-based rollback recovery, two-phase recovery, Drug Discovery Grid, fault recovery
24	Patrick Groeneveld, Rob A. Rutenbar, Jed W. Pitera, Erik C. Carlson, Jinsong Chen	Oil fields, hedge funds, and drugs.	DAC	2009	DBLP DOI BibTeX RDF	financial market analysis, oil field discovery, Monte Carlo methods, drug discovery
24	Nicolas Jacq, Jean Salzemann, Florence Jacq, Yannick Legré, Emmanuel Medernach, Johan Montagnat, Astrid Maaß, Matthieu Reichstadt, Horst Schwichtenberg, Mahendrakar Sridhar, Vinod Kasam, Marc Zimmermann 0001, Martin Hofmann 0009, Vincent Breton	Grid-enabled Virtual Screening Against Malaria.	J. Grid Comput.	2008	DBLP DOI BibTeX RDF	Data challenge, In silico docking, Grid computing, Virtual screening, Drug discovery, Grid infrastructure, Malaria
24	Yuval Inbar, Dina Schneidman-Duhovny, Oranit Dror, Ruth Nussinov, Haim J. Wolfson	Deterministic Pharmacophore Detection Via Multiple Flexible Alignment of Drug-Like Molecules.	RECOMB	2007	DBLP DOI BibTeX RDF	Computer-Aided Drug Design (CADD), Rational Drug Discovery, 3D Molecular Similarity, 3D Molecular Superposition
24	Ying Zhao 0006, Charles Zhou	Drug Characteristics Prediction.	CSB Workshops	2005	DBLP DOI BibTeX RDF	drug characteristics, toxicity, Life sciences, drug discovery, predictive algorithms, feature clustering, efficacy
24	Zina Ben-Miled, Jin Liu, Omran A. Bukhres, Huian Li, Jesse Martin, Chavali Balagopalakrishna, Robert J. Oppelt	Use and Maintenance of Histograms for Large Scientific Database Access Planning: A Case Study of a Pharmaceutical Data Repository.	J. Intell. Inf. Syst.	2004	DBLP DOI BibTeX RDF	drug candidate, database, histogram, drug discovery, query planning
24	Arvind K. Bansal, Christopher Woolverton	Applying Automatically Derived Gene-Groups to Automatically Predict and Refine Metabolic Pathways.	IEEE Trans. Knowl. Data Eng.	2003	DBLP DOI BibTeX RDF	enzymes, gene-groups, microbes, operons, orthologs, pathogenicity, Automation, homologs, drug-discovery, pathway, metabolic pathway, bacteria
23	M. Ihsan Ecemis, J. Wikel, C. Bingham, Eric Bonabeau	A Drug Candidate Design Environment Using Evolutionary Computation.	IEEE Trans. Evol. Comput.	2008	DBLP DOI BibTeX RDF
23	HongKee Moon, Auguste Genovesio	IM.Grid, a Grid computing approach for Image Mining of High Throughput-High Content Screening.	GRID	2008	DBLP DOI BibTeX RDF
23	Jean Sallantin, Christopher Dartnell, Mohammad Afshar	A Pragmatic Logic of Scientific Discovery.	Discovery Science	2006	DBLP DOI BibTeX RDF
23	Qingping Tao, Stephen Scott 0001, N. V. Vinodchandran, Thomas Takeo Osugi, Brandon Mueller	An Extended Kernel for Generalized Multiple-Instance Learning.	ICTAI	2004	DBLP DOI BibTeX RDF
22	Jonghyun Lee, In-Soo Myeong, Yun Kim	The Drug-Like Molecule Pre-Training Strategy for Drug Discovery.	IEEE Access	2023	DBLP DOI BibTeX RDF
22	Rui Wang 0072, Hongsong Feng, Guo-Wei Wei 0001	ChatGPT in Drug Discovery: A Case Study on Anticocaine Addiction Drug Development with Chatbots.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
22	Rui Wang 0072, Hongsong Feng, Guo-Wei Wei 0001	Chatbots in Drug Discovery: A Case Study on Anti-Cocaine Addiction Drug Development with ChatGPT.	CoRR	2023	DBLP DOI BibTeX RDF
22	Nahal Mirzaie, Mohammad V. Sanian, Mohammad H. Rohban	Weakly-Supervised Drug Efficiency Estimation with Confidence Score: Application to COVID-19 Drug Discovery.	MICCAI (8)	2023	DBLP DOI BibTeX RDF
22	Shaofu Lin, Chengyu Shi, Jianhui Chen	GeneralizedDTA: combining pre-training and multi-task learning to predict drug-target binding affinity for unknown drug discovery.	BMC Bioinform.	2022	DBLP DOI BibTeX RDF
22	Daniel Domingo-Fernández, Yojana Gadiya, Abhishek Patel, Sarah Mubeen, Daniel Rivas-Barragan, Chris W. Diana, Biswapriya B. Misra, David Healey, John C. Rokicki, Viswa Teja S. S. Colluru	Causal reasoning over knowledge graphs leveraging drug-perturbed and disease-specific transcriptomic signatures for drug discovery.	PLoS Comput. Biol.	2022	DBLP DOI BibTeX RDF
22	Mengshi Zhou, Chunlei Zheng, Rong Xu	Combining phenome-driven drug-target interaction prediction with patients' electronic health records-based clinical corroboration toward drug discovery.	Bioinform.	2020	DBLP DOI BibTeX RDF
22	Anamika Singh Gaur, Selvaraman Nagamani, Karunakar Tanneeru, Dmitry S. Druzhilovskiy, Anastassia V. Rudik, Vladimir Poroikov, G. Narahari Sastry	Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing.	J. Biomed. Informatics	2018	DBLP DOI BibTeX RDF
22	Yu Lin, Saurabh Mehta, Hande Küçük-McGinty, John Paul Turner, Dusica Vidovic, Michele Forlin, Amar Koleti, Dac-Trung Nguyen, Lars Juhl Jensen, Rajarshi Guha, Stephen L. Mathias, Oleg Ursu, Vasileios Stathias, Jianbin Duan, Nooshin Nabizadeh, Caty Chung, Christopher Mader, Ubbo Visser, Jeremy J. Yang, Cristian Bologa, Tudor I. Oprea, Stephan C. Schürer	Drug target ontology to classify and integrate drug discovery data.	J. Biomed. Semant.	2017	DBLP DOI BibTeX RDF
22	María José Ojeda	Computational approaches for the characterization of the Dipeptidyl Peptidase IV inhibition: Applications to drug discovery, drug design and binding site similarity.		2017	RDF
22	Mani Mehraei, Rza Bashirov, Sükrü Tüzmen	Target-based drug discovery for β-globin disorders: drug target prediction using quantitative modeling with hybrid functional Petri nets.	J. Bioinform. Comput. Biol.	2016	DBLP DOI BibTeX RDF
22	George Nicola, Michael R. Berthold, Michael P. Hedrick, Michael K. Gilson	Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME.	Database J. Biol. Databases Curation	2015	DBLP DOI BibTeX RDF
22	Rong Xu, QuanQiu Wang	PhenoPredict: A disease phenome-wide drug repositioning approach towards schizophrenia drug discovery.	J. Biomed. Informatics	2015	DBLP DOI BibTeX RDF
22	QuanQiu Wang, Rong Xu	DenguePredict: An Integrated Drug Repositioning Approach towards Drug Discovery for Dengue.	AMIA	2015	DBLP BibTeX RDF
22	Zhijian Xu, Zhuo Yang, Yingtao Liu, Yunxiang Lu, Kaixian Chen, Weiliang Zhu	Halogen Bond: Its Role beyond Drug-Target Binding Affinity for Drug Discovery and Development.	J. Chem. Inf. Model.	2014	DBLP DOI BibTeX RDF
22	Derek A. Debe, Ravindra B. Mamidipaka, Robert J. Gregg, James T. Metz, Rishi R. Gupta, Steven W. Muchmore	ALOHA: a novel probability fusion approach for scoring multi-parameter drug-likeness during the lead optimization stage of drug discovery.	J. Comput. Aided Mol. Des.	2013	DBLP DOI BibTeX RDF
22	Nadia Terranova, Paolo Magni	TGI-Simulator: A visual tool to support the preclinical phase of the drug discovery process by assessing in silico the effect of an anticancer drug.	Comput. Methods Programs Biomed.	2012	DBLP DOI BibTeX RDF
22	Vinod Kumar	Systematic drug repositioning: A new paradigm in drug discovery.	BIBM	2012	DBLP DOI BibTeX RDF
22	Timon Schroeter	Machine learning in drug discovery and drug design.		2009	RDF
22	Vladimir V. Zernov, Konstantin V. Balakin, Andrey A. Ivaschenko, Nikolay P. Savchuk, Igor V. Pletnev	Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions.	J. Chem. Inf. Comput. Sci.	2003	DBLP DOI BibTeX RDF
22	Wenju Zhang, Yin Li, Fei Liu 0007, Fanyuan Ma	Ontology-Driven Resource Selecting in the Grid Environments.	International Conference on Computational Science (1)	2006	DBLP DOI BibTeX RDF
20	William T. Higgins, Sandip Vibhute, Chad Bennett, Steffen Lindert	Discovery of Nanomolar Inhibitors for Human Dihydroorotate Dehydrogenase Using Structure-Based Drug Discovery Methods.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
20	Samson O. Oselusi, Phumuzile Dube, Adeshina I. Odugbemi, Kolajo A. Akinyede, Tosin L. Ilori, Elizabeth Egieyeh, Nicole Rs. Sibuyi, Mervin Meyer, Abram M. Madiehe, Gerald J. Wyckoff, Samuel A. Egieyeh	The role and potential of computer-aided drug discovery strategies in the discovery of novel antimicrobials.	Comput. Biol. Medicine	2024	DBLP DOI BibTeX RDF
20	Feng Ren, Xiao Ding, Min Zheng, Mikhail Korzinkin, Xin Cai, Wei Zhu, Alexey Mantsyzov, Alex Aliper, Vladimir Aladinskiy, Zhongying Cao, Shanshan Kong, Xi Long, Bonnie Hei Man Liu, Yingtao Liu, Vladimir Naumov, Anastasia Shneyderman, Ivan V. Ozerov, Ju Wang, Frank W. Pun, Alán Aspuru-Guzik, Michael Levitt, Alex Zhavoronkov	AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor.	CoRR	2022	DBLP BibTeX RDF
20	Leo K. Tam, Xiaosong Wang, Daguang Xu	Transformer Query-Target Knowledge Discovery (TEND): Drug Discovery from CORD-19.	CoRR	2020	DBLP BibTeX RDF
20	Eric Therrien, Pablo Englebienne, Andrew G. Arrowsmith, Rodrigo Mendoza-Sanchez, Christopher R. Corbeil, Nathanael Weill, Valérie Campagna-Slater, Nicolas Moitessier	Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery.	J. Chem. Inf. Model.	2012	DBLP DOI BibTeX RDF
20	Rania Ahmed Abdel, Azzem Abdel, Rahman Abul Seoud	BioHCVKD: A bioinformatics knowledge discovery system for HCV drug discovery - identifying proteins, ligands and active residues, in biological literature.	Int. J. Bioinform. Res. Appl.	2011	DBLP DOI BibTeX RDF
20	Jun Huan	Knowledge Discovery in Academic Drug Discovery Programs: Opportunities and Challenges.	ICDM	2010	DBLP DOI BibTeX RDF
20	Wenhui Wang 0001, Xinyu Liu 0002, Yu Sun 0001	High-throughput fully automated microrobotic zebrafish embryo injection.	ICRA	2008	DBLP DOI BibTeX RDF
20	Yue Liu, Yafeng Yin, Zaixia Teng, Qi Wu, Guozheng Li 0001	Activities Prediction of Drug Molecules by Using the Optimal Ensemble Based on Uniform Design.	ICIC (1)	2008	DBLP DOI BibTeX RDF	Uniform Design, Neural Network Ensemble, Drug Design
20	Dechang Chen, Jianwen Fang, Jiawei Yu	Predicting Blood-Brain Barrier Penetration by Stochastic Discrimination.	BMEI (1)	2008	DBLP DOI BibTeX RDF	blood-brain barrier, stochastic discrimination, Prediction
20	Alistair Sedwell, Ian C. Parmee	Techniques for the design of molecules and combinatorial chemical libraries.	IEEE Congress on Evolutionary Computation	2007	DBLP DOI BibTeX RDF
20	Francesco Archetti, Stefano Lanzeni, Enza Messina, Leonardo Vanneschi	Genetic Programming and Other Machine Learning Approaches to Predict Median Oral Lethal Dose (LD50) and Plasma Protein Binding Levels (%PPB) of Drugs.	EvoBIO	2007	DBLP DOI BibTeX RDF
20	Jürgen Paetz	Descriptor vector redesign by neuro-fuzzy analysis.	Soft Comput.	2006	DBLP DOI BibTeX RDF	Molecular bioinformatics, Feature selection, Neuro-fuzzy, Virtual screening
20	Richard H. Lathrop	Biomedical Artificial Intelligence.	PRICAI	2004	DBLP DOI BibTeX RDF
20	Yang Liu 0031, Zina Ben-Miled, Omran A. Bukhres, Michael Bem, Robert Jones, Robert J. Oppelt	Efficient Schema Design for a Pharmaceutical Data Repository.	CBMS	2000	DBLP DOI BibTeX RDF	schema design, performance, data access, large databases, schema transformation
18	Muhammad Shoaib B. Sehgal, Iqbal Gondal, Laurence Dooley	Gene Expression Imputation Techniques for Robust Post Genomic Knowledge Discovery.	Computational Intelligence in Medical Informatics	2008	DBLP DOI BibTeX RDF	Microarray Gene Expression Data, Missing Values Estimaiton, Post Genomic Knowledge Discovery
15	Jufang Shan, Jie J. Zheng	Optimizing Dvl PDZ domain inhibitor by exploring chemical space.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Chemical space, PDZ domain inhibitors, Wnt signaling pathway, SAR, Virtual screening, NMR
15	Kunalè Kudagba, Omar El Beqqali, Hassan Badir	Enriching and Answering Proteomic Queries Using Semantic Knowledges.	OTM Workshops	2009	DBLP DOI BibTeX RDF	?-terms, minimal Transversals, Ontology, XML, Semantic Web, Trees, WordNet, Query Rewriting, Proteomics
15	Wing-Kin Sung, Wah-Heng Lee	Fast and Accurate Probe Selection Algorithm for Large Genomes.	CSB	2003	DBLP DOI BibTeX RDF
15	Christian Borgelt, Michael R. Berthold	Mining Molecular Fragments: Finding Relevant Substructures of Molecules.	ICDM	2002	DBLP DOI BibTeX RDF
14	Roohallah Alizadehsani, Solomon Sunday Oyelere, Sadiq Hussain, Senthil Kumar Jagatheesaperumal, Rene Ripardo Calixto, Mohamed Rahouti, Mohamad Roshanzamir, Victor Hugo C. de Albuquerque	Explainable Artificial Intelligence for Drug Discovery and Development: A Comprehensive Survey.	IEEE Access	2024	DBLP DOI BibTeX RDF
14	Soumen Kumar Pati, Manan Kumar Gupta, Ayan Banerjee 0002, Rinita Shai, Palaiahnakote Shivakumara	Drug discovery through Covid-19 genome sequencing with siamese graph convolutional neural network.	Multim. Tools Appl.	2024	DBLP DOI BibTeX RDF
14	Daniel Manu, Jingjing Yao, Wuji Liu, Xiang Sun 0001	GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery.	IEEE ACM Trans. Comput. Biol. Bioinform.	2024	DBLP DOI BibTeX RDF
14	Yuhang Xia, Yongkang Wang, Zhiwei Wang, Wen Zhang 0008	A comprehensive review of molecular optimization in artificial intelligence-based drug discovery.	Quant. Biol.	2024	DBLP DOI BibTeX RDF
14	Keda Yang, Zewen Xie, Zhen Li, Xiaoliang Qian, Nannan Sun, Tao He, Zuodong Xu, Jing Jiang, Qi Mei, Jie Wang, Shugang Qu, Xiaoling Xu, Chaoxiang Chen, Bin Ju	MolProphet: A One-Stop, General Purpose, and AI-Based Platform for the Early Stages of Drug Discovery.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
14	Jochem Nelen, Miguel Carmena-Bargueño, Carlos Martinez-Cortes, Alejandro Rodríguez-Martínez, José Manuel Villalgordo-Soto, Horacio Pérez Sánchez	ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
14	Andrew Rusinko III, Mohammad A. Rezaei, Lukas Friedrich, Hans-Peter Buchstaller, Daniel Kuhn, Ashwini Ghogare	AIDDISON: Empowering Drug Discovery with AI/ML and CADD Tools in a Secure, Web-Based SaaS Platform.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
14	Yendrek Velásquez-López, Andrea Ruiz-Escudero, Sonia Arrasate, Humberto González Díaz	Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
14	Zhuohang Yu, Zengrui Wu, Ze Wang, Yimeng Wang, Moran Zhou, Weihua Li 0005, Guixia Liu, Yun Tang 0001	Network-Based Methods and Their Applications in Drug Discovery.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
14	Natalia Lapinska, Adam Paclawski, Jakub Szlek, Aleksander Mendyk	SerotoninAI: Serotonergic System Focused, Artificial Intelligence-Based Application for Drug Discovery.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF