Hierarchical QSAR technology based on the Simplex representation of molecular structure. - Victor Kuzmin; Anatoly G. Artemenko; Eugene N. Muratov (J. Comput. Aided Mol. Des., 2008)

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study. - Victor Kuzmin; Eugene N. Muratov; Anatoly G. Artemenko; Leonid Gorb; Mo Qasim; Jerzy Leszczynski (J. Comput. Aided Mol. Des., 2008)

Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity. - Pavel G. Polishchuk; Eugene N. Muratov; Anatoly G. Artemenko; Oleg G. Kolumbin; Nail N. Muratov; Victor Kuzmin (J. Chem. Inf. Model., 2009)

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research. - Denis Fourches; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2010)

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. - Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Artem Cherkasov; Jiazhong Li; Paola Gramatica; Katja Hansen; Timon Schroeter; Klaus-Robert Müller; Lili Xi; Huanxiang Liu; et al. (J. Chem. Inf. Model., 2010)

Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling? - Todd M. Martin; Paul Harten; Douglas M. Young; Eugene N. Muratov; Alexander Golbraikh; Hao Zhu 012; Alexander Tropsha (J. Chem. Inf. Model., 2012)

Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches. - Denis Fourches; Eugene N. Muratov; Feng Ding 002; Nikolay V. Dokholyan; Alexander Tropsha (J. Chem. Inf. Model., 2013)

Data Set Modelability by QSAR. - Alexander Golbraikh; Eugene N. Muratov; Denis Fourches; Alexander Tropsha (J. Chem. Inf. Model., 2014)

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation. - Denis Fourches; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2016)

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni. - Cleber C. Melo-Filho; Rafael Ferreira Dantas; Rodolpho C. Braga; Bruno Junior Neves; Mario R. Senger; Walter C. G. Valente; João M. Rezende-Neto; Willian T. Chaves; Eugene N. Muratov; Ross A. Paveley; Nicholas Furnham; Lee Kamentsky; et al. (J. Chem. Inf. Model., 2016)

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals. - Rodolpho C. Braga; Vinicius M. Alves; Eugene N. Muratov; Judy Strickland; Nicole C. Kleinstreuer; Alexander Tropsha; Carolina Horta Andrade (J. Chem. Inf. Model., 2017)

Chembench: A Publicly Accessible, Integrated Cheminformatics Portal. - Stephen J. Capuzzi; Ian Sang-June Kim; Wai In Lam; Thomas E. Thornton; Eugene N. Muratov; Diane Pozefsky; Alexander Tropsha (J. Chem. Inf. Model., 2017)

Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS. - Stephen J. Capuzzi; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2017)

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models. - Vinicius M. Alves; Alexander Golbraikh; Stephen J. Capuzzi; Kammy Liu; Wai In Lam; Daniel Robert Korn; Diane Pozefsky; Carolina Horta Andrade; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2018)

Chemotext: A Publicly Available Web Server for Mining Drug-Target-Disease Relationships in PubMed. - Stephen J. Capuzzi; Thomas E. Thornton; Kammy Liu; Nancy Baker 001; Wai In Lam; Colin P. O'banion; Eugene N. Muratov; Diane Pozefsky; Alexander Tropsha (J. Chem. Inf. Model., 2018)

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships. - Yen S. Low; Vinicius M. Alves; Denis Fourches; Alexander Sedykh; Carolina Horta Andrade; Eugene N. Muratov; Ivan Rusyn; Alexander Tropsha (J. Chem. Inf. Model., 2018)

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents. - Sandra Giuliani; Arthur C. Silva; Joyce V. V. B. Borba; Pablo I. P. Ramos; Ross A. Paveley; Eugene N. Muratov; Carolina Horta Andrade; Nicholas Furnham (PLoS Comput. Biol., 2018)

Text Mining to Identify and Extract Novel Disease Treatments From Unstructured Datasets. - Rahul Yedida; Saad Mohammad Abrar; Cleber C. Melo-Filho; Eugene N. Muratov; Rada Chirkova; Alexander Tropsha (CoRR, 2020)

SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules. - Vinicius M. Alves; Stephen J. Capuzzi; Rodolpho C. Braga; Daniel Robert Korn; Joshua E. Hochuli; Kyle H. Bowler; Adam Yasgar; Ganesha Rai; Anton Simeonov; Eugene N. Muratov; Alexey V. Zakharov; Alexander Tropsha (J. Chem. Inf. Model., 2020)

Deep Learning-driven research for drug discovery: Tackling Malaria. - Bruno Junior Neves; Rodolpho C. Braga; Vinicius M. Alves; Marília N. N. Lima; Gustavo C. Cassiano; Eugene N. Muratov; Fabio T. M. Costa; Carolina Horta Andrade (PLoS Comput. Biol., 2020)

COVID-KOP: integrating emerging COVID-19 data with the ROBOKOP database. - Daniel Robert Korn; Tesia M. Bobrowski; Michael Li; Yaphet Kebede; Patrick Wang 003; Phillips Owen; Gaurav Vaidya; Eugene N. Muratov; Rada Chirkova; Chris Bizon; Alexander Tropsha (Bioinform., 2021)

ZINC Express: A Virtual Assistant for Purchasing Compounds Annotated in the ZINC Database. - Tesia M. Bobrowski; Daniel Robert Korn; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2021)

The SistematX Web Portal of Natural Products: An Update. - Renan P. O. Costa; Lucas Fernandes Lucena; Lorena Mara A. Silva; Guilherme Julião Zocolo; Chonny Herrera-Acevedo; Luciana Scotti; Fernando Batista Da-Costa; Nikita Ionov; Vladimir Poroikov; Eugene N. Muratov; Marcus Tulius Scotti (J. Chem. Inf. Model., 2021)

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. - Sankalp Jain; Vishal B. Siramshetty; Vinicius M. Alves; Eugene N. Muratov; Nicole C. Kleinstreuer; Alexander Tropsha; Marc C. Nicklaus; Anton Simeonov; Alexey V. Zakharov (J. Chem. Inf. Model., 2021)

COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19. - Daniel Robert Korn; Vera Pervitsky; Tesia M. Bobrowski; Vinicius M. Alves; Charles Schmitt; Chris Bizon; Nancy Baker 001; Rada Chirkova; Artem Cherkasov; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2021)

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. - Melina Mottin; Bruna Katiele de Paula Sousa; Nathalya Cristina de Moraes Roso Mesquita; Ketllyn Irene Zagato de Oliveira; Gabriela Dias Noske; Geraldo Rodrigues Sartori; Aline Albuquerque; Fabio Urbina; Ana C. Puhl; José Teófilo Moreira-Filho; Guilherme E. Souza; Rafael V. C. Guido; et al. (J. Chem. Inf. Model., 2022)

STOPLIGHT: A Hit Scoring Calculator. - James Wellnitz; Holli-Joi Martin; Mohammad Anwar Hossain 002; Marielle Rath; Colton Fox; Konstantin I. Popov; Timothy M. Willson; Eugene N. Muratov; Alexander Tropsha (J. Chem. Inf. Model., 2024)

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening. - James Wellnitz; Sankalp Jain; Joshua E. Hochuli; Travis Maxfield; Eugene N. Muratov; Alexander Tropsha; Alexey V. Zakharov (J. Cheminformatics, 2025)