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CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds

PloS one, 2018-01, Vol.13 (1), p.e0191838-e0191838

2018

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Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1

Molecules (Basel, Switzerland), 2020-06, Vol.25 (12), p.2944

2020

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SAV-Pred: A Freely Available Web Application for the Prediction of Pathogenic Amino Acid Substitutions for Monogenic Hereditary Diseases Studied in Newborn Screening

International journal of molecular sciences, 2023-01, Vol.24 (3), p.2463

2023

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Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body

International journal of molecular sciences, 2020-10, Vol.21 (20), p.7492

2020

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CLC-Pred 2.0: A Freely Available Web Application for In Silico Prediction of Human Cell Line Cytotoxicity and Molecular Mechanisms of Action for Druglike Compounds

International journal of molecular sciences, 2023-01, Vol.24 (2), p.1689

2023

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Quantitative Prediction of Human Immunodeficiency Virus Drug Resistance

Viruses, 2024-07, Vol.16 (7), p.1132

2024

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Web Service for HIV Drug Resistance Prediction Based on Analysis of Amino Acid Substitutions in Main Drug Targets

Viruses, 2023-11, Vol.15 (11), p.2245

2023

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(Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds

Molecules (Basel, Switzerland), 2019-12, Vol.25 (1), p.87

2019

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QSAR Modeling Using Large-Scale Databases: Case Study for HIV‑1 Reverse Transcriptase Inhibitors

Journal of chemical information and modeling, 2015-07, Vol.55 (7), p.1388-1399

2015

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In Silico Prediction of Drug-Drug Interactions Mediated by Cytochrome P450 Isoforms

Pharmaceutics, 2021-04, Vol.13 (4), p.538

2021

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Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents

PloS one, 2014-07, Vol.9 (7), p.e100386

2014

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MetaTox 2.0: Estimating the Biological Activity Spectra of Drug-like Compounds Taking into Account Probable Biotransformations

ACS omega, 2023-12, Vol.8 (48), p.45774-45778

2023

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How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

Frontiers in chemistry, 2018-04, Vol.6, p.133-133

2018

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Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

Frontiers in pharmacology, 2018-10, Vol.9

2018

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Prediction of viral protease inhibitors using proteochemometrics approach

Computational biology and chemistry, 2024-06, Vol.110, p.108061-108061, Article 108061

2024

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TCR‐Pred: A new web‐application for prediction of epitope and MHC specificity for CDR3 TCR sequences using molecular fragment descriptors

Immunology, 2023-08, Vol.169 (4), p.447-453

2023

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AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

Journal of chemical information and modeling, 2019-11, Vol.59 (11), p.4513-4518

2019

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Relationships between the Structure and Severe Drug-Induced Liver Injury for Low, Medium, and High Doses of Drugs

Chemical research in toxicology, 2022-03, Vol.35 (3), p.402-411

2022

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ADVERPred–Web Service for Prediction of Adverse Effects of Drugs

Journal of chemical information and modeling, 2018-01, Vol.58 (1), p.8-11

2018

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HGMMX: Host Gut Microbiota Metabolism Xenobiotics Database

Journal of chemical information and modeling, 2023-11, Vol.63 (21), p.6463-6468

2023

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MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics’ Metabolites

Journal of chemical information and modeling, 2017-04, Vol.57 (4), p.638-642

2017

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Combined network pharmacology and virtual reverse pharmacology approaches for identification of potential targets to treat vascular dementia

Scientific reports, 2020-01, Vol.10 (1), p.257, Article 257

2020

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DIGEP‐Pred 2.0: A web application for predicting drug‐induced cell signaling and gene expression changes

Molecular informatics, 2024-07, p.e202400032

2024

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Extraction of Data on Parent Compounds and Their Metabolites from Texts of Scientific Abstracts

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1683-1690

2021

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Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.3635-3644

2019

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CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds

Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1

SAV-Pred: A Freely Available Web Application for the Prediction of Pathogenic Amino Acid Substitutions for Monogenic Hereditary Diseases Studied in Newborn Screening

Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body

CLC-Pred 2.0: A Freely Available Web Application for In Silico Prediction of Human Cell Line Cytotoxicity and Molecular Mechanisms of Action for Druglike Compounds

Quantitative Prediction of Human Immunodeficiency Virus Drug Resistance

Web Service for HIV Drug Resistance Prediction Based on Analysis of Amino Acid Substitutions in Main Drug Targets

(Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds

QSAR Modeling Using Large-Scale Databases: Case Study for HIV‑1 Reverse Transcriptase Inhibitors

In Silico Prediction of Drug-Drug Interactions Mediated by Cytochrome P450 Isoforms

Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents

MetaTox 2.0: Estimating the Biological Activity Spectra of Drug-like Compounds Taking into Account Probable Biotransformations

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

Prediction of viral protease inhibitors using proteochemometrics approach

TCR‐Pred: A new web‐application for prediction of epitope and MHC specificity for CDR3 TCR sequences using molecular fragment descriptors

AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

Relationships between the Structure and Severe Drug-Induced Liver Injury for Low, Medium, and High Doses of Drugs

ADVERPred–Web Service for Prediction of Adverse Effects of Drugs

HGMMX: Host Gut Microbiota Metabolism Xenobiotics Database

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics’ Metabolites

Combined network pharmacology and virtual reverse pharmacology approaches for identification of potential targets to treat vascular dementia

DIGEP‐Pred 2.0: A web application for predicting drug‐induced cell signaling and gene expression changes

Extraction of Data on Parent Compounds and Their Metabolites from Texts of Scientific Abstracts

Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from Publications

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