List of works - Eugene Muratov

Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors

scientific article published in February 2016

Alarms about structural alerts

scientific article published on 28 June 2016

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

scientific article published on 27 December 2010

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

scientific article published in July 2016

COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19

publication published in 2021

COVID-19 knowledge extractor (COKE): a tool and a web portal to extract drug-target protein associations from the CORD-19 corpus of scientific publications on COVID-19

scientific article published on 26 November 2020

COVID-KOP: Integrating Emerging COVID-19 Data with the ROBOKOP Database

scientific article published on 18 June 2020

COVID-KOP: Integrating Emerging COVID-19 Data with the ROBOKOP Database

scientific article published on 11 November 2020

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

scientific article published on 12 April 2017

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

scientific article published on 26 June 2019

Chemotext: A Publicly Available Web Server for Mining Drug-Target-Disease Relationships in PubMed

scientific article

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Comprehensive characterization of the Published Kinase Inhibitor Set

scientific article

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

scientific article published on 22 April 2020

Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.

scientific article published on 6 April 2018

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

scientific article published on 16 June 2020

Computer-Assisted Decision Support for Student Admissions Based on Their Predicted Academic Performance

scientific article

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum

scientific article published on 4 April 2017

Conditional Toxicity Value (CTV) Predictor: An In Silico Approach for Generating Quantitative Risk Estimates for Chemicals

scientific article published on 29 May 2018

Correction to "Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one Scaffold"

scientific article published on 13 August 2020

Correction: QSAR without borders

scientific article published on 22 May 2020

Curation of chemogenomics data

scientific article published in July 2015

Data set modelability by QSAR

scientific article

Deep Learning-driven research for drug discovery: Tackling Malaria

scientific article published on 18 February 2020

Defining clinical outcome pathways

scientific article published in June 2022

Development of Web and Mobile Applications for Chemical Toxicity Prediction

article

Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening

scientific article

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika

scientific article published in 2022

Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening

scientific article published on 29 November 2018

Expanding the scope of drug repurposing in pediatrics: the Children's Pharmacy Collaborative

scientific article

Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives

scientific article

Modern approaches to accelerate discovery of new antischistosomal drugs.

scientific article published on 13 April 2016

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

article

Open drug discovery for the Zika virus

scientific article

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

scientific article published on 01 January 2019

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

scientific article

Predicting Adverse Drug Effects from Literature- and Database-Mined Assertions

scholarly article by Mary K. La et al published 6 June 2018 in Drug Safety

Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches

scientific article

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

scientific article

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

scientific article published on 3 January 2015

Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches

scientific article

QSAR Modeling of SARS-CoV M<sup>pro</sup> Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS-CoV-2

scientific article published on 24 August 2020

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

scientific article

QSAR without borders

scientific article published on 01 May 2020

QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity

scientific article published on 10 May 2017

Quantitative Structure-Activity Relationship Modeling and Docking of Monoterpenes with Insecticidal Activity Against Reticulitermes chinensis Snyder and Drosophila melanogaster

scientific article published on 06 April 2020

Recent progress on cheminformatics approaches to epigenetic drug discovery

scientific article published on 30 September 2020

Short communication: cheminformatics analysis to identify predictors of antiviral drug penetration into the female genital tract

scientific article

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

scientific article

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

scientific article (publication date: 26 July 2010)

Tuning HERG out: antitarget QSAR models for drug development

scientific article

List of works by Eugene Muratov

Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors

Alarms about structural alerts

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19

COVID-19 knowledge extractor (COKE): a tool and a web portal to extract drug-target protein associations from the CORD-19 corpus of scientific publications on COVID-19

COVID-KOP: Integrating Emerging COVID-19 Data with the ROBOKOP Database

COVID-KOP: Integrating Emerging COVID-19 Data with the ROBOKOP Database

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

Chemotext: A Publicly Available Web Server for Mining Drug-Target-Disease Relationships in PubMed

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Comprehensive characterization of the Published Kinase Inhibitor Set

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

Computer-Assisted Decision Support for Student Admissions Based on Their Predicted Academic Performance

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum

Conditional Toxicity Value (CTV) Predictor: An In Silico Approach for Generating Quantitative Risk Estimates for Chemicals

Correction to "Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one Scaffold"

Correction: QSAR without borders

Curation of chemogenomics data

Data set modelability by QSAR

Deep Learning-driven research for drug discovery: Tackling Malaria

Defining clinical outcome pathways

Development of Web and Mobile Applications for Chemical Toxicity Prediction

Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika

Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening

Expanding the scope of drug repurposing in pediatrics: the Children's Pharmacy Collaborative

Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives

Modern approaches to accelerate discovery of new antischistosomal drugs.

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

Open drug discovery for the Zika virus

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

Predicting Adverse Drug Effects from Literature- and Database-Mined Assertions

Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches

QSAR Modeling of SARS-CoV M<sup>pro</sup> Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS-CoV-2

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

QSAR without borders

QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity

Quantitative Structure-Activity Relationship Modeling and Docking of Monoterpenes with Insecticidal Activity Against Reticulitermes chinensis Snyder and Drosophila melanogaster

Recent progress on cheminformatics approaches to epigenetic drug discovery

Short communication: cheminformatics analysis to identify predictors of antiviral drug penetration into the female genital tract

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

Tuning HERG out: antitarget QSAR models for drug development