Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors. - Dmitrii Filimonov; Vladimir Poroikov; Yulia V. Borodina; Tatyana Gloriozova (J. Chem. Inf. Comput. Sci., 1999)

PASS: prediction of activity spectra for biologically active substances. - Alexey Lagunin; Alla Stepanchikova; Dmitrii Filimonov; Vladimir Poroikov (Bioinform., 2000)

Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds. - Vladimir Poroikov; Dmitrii Filimonov; Yulia V. Borodina; A. A. Lagunin; A. Kos (J. Chem. Inf. Comput. Sci., 2000)

How to acquire new biological activities in old compounds by computer prediction. - Vladimir Poroikov; Dmitrii Filimonov (J. Comput. Aided Mol. Des., 2002)

Predicting Biotransformation Potential from Molecular Structure. - Yulia V. Borodina; A. Sadym; Dmitrii Filimonov; V. Blinova; Alexander V. Dmitriev; Vladimir Poroikov (J. Chem. Inf. Comput. Sci., 2003)

PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser. - Vladimir Poroikov; Dmitrii Filimonov; Wolf-Dietrich Ihlenfeldt; Tatyana Gloriozova; Alexey Lagunin; Yulia V. Borodina; Alla Stepanchikova; Marc C. Nicklaus (J. Chem. Inf. Comput. Sci., 2003)

A New Statistical Approach to Predicting Aromatic Hydroxylation Sites. Comparison with Model-Based Approaches. - Yulia V. Borodina; Anastasia V. Rudik; Dmitrii Filimonov; N. Kharchevnikova; Alexander V. Dmitriev; V. Blinova; Vladimir Poroikov (J. Chem. Inf. Model., 2004)

Why relevant chemical information cannot be exchanged without disclosing structures. - Dmitry Filimonov; Vladimir Poroikov (J. Comput. Aided Mol. Des., 2005)

CYCLONET - an integrated database on cell cycle regulation and carcinogenesis. - Fedor A. Kolpakov; Vladimir Poroikov; Ruslan N. Sharipov; Yury V. Kondrakhin; Alexey V. Zakharov; Alexey Lagunin; Luciano Milanesi; Alexander E. Kel (Nucleic Acids Res., 2007)

Recognition of protein Function Using the Local Similarity. - Kirill Alexandrov; Boris Sobolev; Dmitry Filimonov; Vladimir Poroikov (J. Bioinform. Comput. Biol., 2008)

Functional classification of proteins based on projection of amino acid sequences: application for prediction of protein kinase substrates. - Boris Sobolev; Dmitry Filimonov; Alexey Lagunin; Alexey V. Zakharov; Olga Koborova; Alexander E. Kel; Vladimir Poroikov (BMC Bioinform., 2010)

Collaborative development of predictive toxicology applications. - Barry J. Hardy; Nicki Douglas; Christoph Helma; Micha Rautenberg; Nina Jeliazkova; Vedrin Jeliazkov; Ivelina Nikolova; Romualdo Benigni; Olga Tcheremenskaia; Stefan Kramer 001; Tobias Girschick; Fabian Buchwald; et al. (J. Cheminformatics, 2010)

OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia. - Olga Tcheremenskaia; Romualdo Benigni; Ivelina Nikolova; Nina Jeliazkova; Sylvia Escher; Monika Batke; Thomas Baier 005; Vladimir Poroikov; Alexey Lagunin; Micha Rautenberg; Barry J. Hardy (J. Biomed. Semant., 2012)

DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula. - Alexey Lagunin; Sergey Ivanov; Anastasia V. Rudik; Dmitry Filimonov; Vladimir Poroikov (Bioinform., 2013)

Revealing pharmacodynamics of medicinal plants using in silico approach: A case study with wet lab validation. - Damanpreet Singh; Dinesh Y. Gawande; Tanveer Singh; Vladimir Poroikov; Rajesh Kumar Goel (Comput. Biol. Medicine, 2014)

Metabolism Site Prediction Based on Xenobiotic Structural Formulas and PASS Prediction Algorithm. - Anastasia V. Rudik; Alexander V. Dmitriev; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2014)

SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds. - Anastasia V. Rudik; Alexander V. Dmitriev; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (Bioinform., 2015)

QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors. - Olga A. Tarasova; Aleksandra F. Urusova; Dmitry Filimonov; Marc C. Nicklaus; Alexey V. Zakharov; Vladimir Poroikov (J. Chem. Inf. Model., 2015)

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics. - Anastasia V. Rudik; Alexander V. Dmitriev; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (J. Cheminformatics, 2016)

PASS-based approach to predict HIV-1 reverse transcriptase resistance. - Olga A. Tarasova; Dmitry Filimonov; Vladimir Poroikov (J. Bioinform. Comput. Biol., 2017)

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites. - Anastasia V. Rudik; Vladislav M. Bezhentsev; Alexander V. Dmitriev; Dmitry S. Druzhilovskiy; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2017)

ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction. - Alexey Lagunin; Anastasia V. Rudik; Dmitry S. Druzhilovskiy; Dmitry Filimonov; Vladimir Poroikov (Bioinform., 2018)

Identification of potential drug targets for treatment of refractory epilepsy using network pharmacology. - Vladislav M. Bezhentsev; Sergey Ivanov; Sandeep Kumar; Rajesh Kumar Goel; Vladimir Poroikov (J. Bioinform. Comput. Biol., 2018)

Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing. - Anamika Singh Gaur; Selvaraman Nagamani; Karunakar Tanneeru; Dmitry S. Druzhilovskiy; Anastassia V. Rudik; Vladimir Poroikov; G. Narahari Sastry (J. Biomed. Informatics, 2018)

ADVERPred-Web Service for Prediction of Adverse Effects of Drugs. - Sergey Ivanov; Alexey Lagunin; Anastasia V. Rudik; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2018)

Metatox - Web application for generation of metabolic pathways and toxicity estimation. - Anastasiya V. Rudik; Vladislav M. Bezhentsev; Alexander V. Dmitriev; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (J. Bioinform. Comput. Biol., 2019)

AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds. - Pavel V. Pogodin; Alexey Lagunin; Anastasia V. Rudik; Dmitry S. Druzhilovskiy; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2019)

Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications. - Olga A. Tarasova; Nadezhda Yu. Biziukova; Dmitry Filimonov; Vladimir Poroikov; Marc C. Nicklaus (J. Chem. Inf. Model., 2019)

Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions. - Sergey Ivanov; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (PLoS Comput. Biol., 2019)

AntiHIV-Pred: web-resource for in silico prediction of anti-HIV/AIDS activity. - Leonid A. Stolbov; Dmitry S. Druzhilovskiy; Anastasia V. Rudik; Dmitry Filimonov; Vladimir Poroikov; Marc C. Nicklaus (Bioinform., 2020)

Computational Approaches To Identify A Hidden Pharmacological Potential In Large Chemical Libraries. - Dmitry S. Druzhilovskiy; Leonid A. Stolbov; Polina I. Savosina; Pavel V. Pogodin; Dmitry Filimonov; Alexander V. Veselovsky; Karen Stefanisko; Nadya I. Tarasova; Marc C. Nicklaus; Vladimir Poroikov (Supercomput. Front. Innov., 2020)

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing. - Sita Sirisha Madugula; Lijo John; Selvaraman Nagamani; Anamika Singh Gaur; Vladimir Poroikov; G. Narahari Sastry (Comput. Biol. Medicine, 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)

Extraction of Data on Parent Compounds and Their Metabolites from Texts of Scientific Abstracts. - Olga A. Tarasova; Nadezhda Yu. Biziukova; Anastassia V. Rudik; Alexander V. Dmitriev; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2021)

HIV-1 drug resistance profiling using amino acid sequence space cartography. - Karina Pikalyova; Alexey Orlov; Arkadii I. Lin; Olga A. Tarasova; Gilles Marcou; Dragos Horvath; Vladimir Poroikov; Alexandre Varnek (Bioinform., 2022)

The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain. - Dmitry A. Karasev; Boris Sobolev; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov (Comput. Biol. Chem., 2022)

Chemical named entity recognition in the texts of scientific publications using the naïve Bayes classifier approach. - Olga A. Tarasova; Anastasia V. Rudik; Nadezhda Yu. Biziukova; Dmitry Filimonov; Vladimir Poroikov (J. Cheminformatics, 2022)

Phyto4Health: Database of Phytocomponents from Russian Pharmacopoeia Plants. - Nikita Ionov; Dmitry S. Druzhilovskiy; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2023)

HGMMX: Host Gut Microbiota Metabolism Xenobiotics Database. - Anton S. Kolodnitsky; Nikita Ionov; Anastasia V. Rudik; Dmitry Filimonov; Vladimir Poroikov (J. Chem. Inf. Model., 2023)

SAnDReS 2.0: Development of machine-learning models to explore the scoring function space. - Walter Filgueira de Azevedo Jr.; Rodrigo Quiroga; Marcos Ariel Villarreal; Nelson José Freitas da Silveira; Gabriela Bitencourt-Ferreira; Amauri Duarte da Silva; Martina Veit-Acosta; Patricia Rufino Oliveira; Marco Tutone; Nadezhda Yu. Biziukova; Vladimir Poroikov; Olga A. Tarasova; et al. (J. Comput. Chem., 2024)