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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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SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds

Bioinformatics (Oxford, England), 2015-06, Vol.31 (12), p.2046-2048

2015

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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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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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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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A Computational Approach for the Prediction of HIV Resistance Based on Amino Acid and Nucleotide Descriptors

Molecules (Basel, Switzerland), 2018-10, Vol.23 (11), p.2751

2018

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Mixed-Cation Perovskite La0.6Ca0.4Fe0.7Ni0.3O2.9 as a Stable and Efficient Catalyst for the Oxygen Evolution Reaction

ACS catalysis, 2021-07, Vol.11 (13), p.8338-8348

2021

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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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Computational Prediction of Inhibitors and Inducers of the Major Isoforms of Cytochrome P450

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.5875

2022

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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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Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions

PLoS computational biology, 2019-07, Vol.15 (7), p.e1006851

2019

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Network-Based Analysis of OMICs Data to Understand the HIV–Host Interaction

Frontiers in microbiology, 2020-06, Vol.11, p.1314-1314

2020

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Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features

International journal of molecular sciences, 2020-10, Vol.21 (21), p.8152

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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Multi-targeted natural products evaluation based on biological activity prediction with PASS

Current pharmaceutical design, 2010-05, Vol.16 (15), p.1703

2010

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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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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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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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Identification of Molecular Mechanisms Involved in Viral Infection Progression Based on Text Mining: Case Study for HIV Infection

International journal of molecular sciences, 2023-01, Vol.24 (2), p.1465

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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A Computational Approach for the Prediction of Treatment History and the Effectiveness or Failure of Antiretroviral Therapy

International journal of molecular sciences, 2020-01, Vol.21 (3), p.748

2020

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

SOMP: web server for in silico prediction of sites of metabolism 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

Prediction of viral protease inhibitors using proteochemometrics approach

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

A Computational Approach for the Prediction of HIV Resistance Based on Amino Acid and Nucleotide Descriptors

Mixed-Cation Perovskite La0.6Ca0.4Fe0.7Ni0.3O2.9 as a Stable and Efficient Catalyst for the Oxygen Evolution Reaction

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

Computational Prediction of Inhibitors and Inducers of the Major Isoforms of Cytochrome P450

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

Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions

Network-Based Analysis of OMICs Data to Understand the HIV–Host Interaction

Prediction of Protein-ligand Interaction Based on Sequence Similarity and Ligand Structural Features

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

Multi-targeted natural products evaluation based on biological activity prediction with PASS

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

HGMMX: Host Gut Microbiota Metabolism Xenobiotics Database

ADVERPred–Web Service for Prediction of Adverse Effects of Drugs

Identification of Molecular Mechanisms Involved in Viral Infection Progression Based on Text Mining: Case Study for HIV Infection

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

A Computational Approach for the Prediction of Treatment History and the Effectiveness or Failure of Antiretroviral Therapy

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

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

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