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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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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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Dataset of drugs, their molecular scaffolds and medical indications with interactive visualization

Data in brief, 2024-06, Vol.54, p.110417-110417, Article 110417

2024

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Identification of Potential Therapeutic Targets on the Level of DNA/mRNAs, Proteins and Metabolites: A Systematic Mapping Review of Scientific Texts' Fragments from Open Targets

Current issues in molecular biology, 2023-04, Vol.45 (4), p.3406-3418

2023

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Rational Use of Heterogeneous Data in Quantitative Structure–Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors

Journal of chemical information and modeling, 2019-02, Vol.59 (2), p.713-730

2019

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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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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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Molecular imprinting coupled with electrochemical analysis for plasma samples classification in acute myocardial infarction diagnostic

Biosensors & bioelectronics, 2018-01, Vol.99, p.216-222

2018

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Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

Molecules (Basel, Switzerland), 2019-10, Vol.24 (21), p.3955

2019

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Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

Natural product reports, 2014-11, Vol.31 (11), p.1585-1611

2014

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Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives

Molecules (Basel, Switzerland), 2022-02, Vol.27 (3), p.1068

2022

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Evolution of Protein Functional Annotation: Text Mining Study

Journal of personalized medicine, 2022-03, Vol.12 (3), p.479

2022

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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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Protocol for Increasing the Sensitivity of MS-Based Protein Detection in Human Chorionic Villi

Current issues in molecular biology, 2022-05, Vol.44 (5), p.2069-2088

2022

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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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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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3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation

Pharmaceuticals (Basel, Switzerland), 2020-09, Vol.13 (9), p.229

2020

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Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach

Toxicological sciences, 2015-06, Vol.145 (2), p.321-336

2015

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Identification of Drug-Induced Myocardial Infarction-Related Protein Targets through the Prediction of Drug–Target Interactions and Analysis of Biological Processes

Chemical research in toxicology, 2014-07, Vol.27 (7), p.1263-1281

2014

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Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies

Antibiotics (Basel), 2020-04, Vol.9 (5), p.224

2020

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Integral estimation of xenobiotics’ toxicity with regard to their metabolism in human organism

Pure and applied chemistry, 2017-10, Vol.89 (10), p.1449-1458

2017

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A community effort in SARS‐CoV‐2 drug discovery

Molecular informatics, 2024-01, Vol.43 (1), p.e202300262-n/a

2024

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Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K i and IC 50 Values of Antitarget Inhibitors

Frontiers in pharmacology, 2018, Vol.9, p.1136

2018

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Antimicrobial Activity of Nitrogen-Containing 5-[alpha]-Androstane Derivatives: In Silico and Experimental Studies

Antibiotics (Basel), 2020-05, Vol.9 (5)

2020

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Computational Approaches to Identify a Hidden Pharmacological Potential in Large Chemical Libraries

Supercomputing frontiers and innovations, 2020-09, Vol.7 (3)

2020

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

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

Dataset of drugs, their molecular scaffolds and medical indications with interactive visualization

Identification of Potential Therapeutic Targets on the Level of DNA/mRNAs, Proteins and Metabolites: A Systematic Mapping Review of Scientific Texts' Fragments from Open Targets

Rational Use of Heterogeneous Data in Quantitative Structure–Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors

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

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

Molecular imprinting coupled with electrochemical analysis for plasma samples classification in acute myocardial infarction diagnostic

Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives

Evolution of Protein Functional Annotation: Text Mining Study

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

Protocol for Increasing the Sensitivity of MS-Based Protein Detection in Human Chorionic Villi

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

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

3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation

Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach

Identification of Drug-Induced Myocardial Infarction-Related Protein Targets through the Prediction of Drug–Target Interactions and Analysis of Biological Processes

Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies

Integral estimation of xenobiotics’ toxicity with regard to their metabolism in human organism

A community effort in SARS‐CoV‐2 drug discovery

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K i and IC 50 Values of Antitarget Inhibitors

Antimicrobial Activity of Nitrogen-Containing 5-[alpha]-Androstane Derivatives: In Silico and Experimental Studies

Computational Approaches to Identify a Hidden Pharmacological Potential in Large Chemical Libraries

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