List of works - Barun Bhhatarai

A QSAR study of HIV protease inhibitors using theoretical descriptors.

scientific article published in December 2010

A mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR.

scientific article published in November 2004

A sphingosine 1-phosphate receptor 2 selective allosteric agonist.

scientific article published on 15 June 2013

Acute Toxicity Prediction in Multiple Species by Leveraging Mechanistic ToxCast Mitochondrial Inhibition Data and Simulation of Oral Bioavailability.

scientific article

Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stress.

scientific article

Alternative approaches for identifying acute systemic toxicity: Moving from research to regulatory testing.

scientific article published on 6 January 2017

Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.

scientific article published on 28 June 2010

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

scientific article published on 17 March 2011

Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors

scientific article

Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach.

scientific article

Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation.

scientific article

From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 protease inhibitors

scientific article published on 25 April 2005

Novel selective allosteric and bitopic ligands for the S1P(3) receptor.

scientific article

Opportunities and challenges using artificial intelligence in ADME/Tox

scientific article published on 01 May 2019

Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.

scientific article published on 28 August 2010

Possible allosteric interactions of monoindazole-substituted P2 cyclic urea analogues with wild-type and mutant HIV-1 protease.

scientific article published on 27 March 2008

Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals

article

The QSPR-THESAURUS: the online platform of the CADASTER project

scientific article published on 01 March 2014

The activities of drug inactive ingredients on biological targets

scientific article

List of works by Barun Bhhatarai

A QSAR study of HIV protease inhibitors using theoretical descriptors.

A mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR.

A sphingosine 1-phosphate receptor 2 selective allosteric agonist.

Acute Toxicity Prediction in Multiple Species by Leveraging Mechanistic ToxCast Mitochondrial Inhibition Data and Simulation of Oral Bioavailability.

Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stress.

Alternative approaches for identifying acute systemic toxicity: Moving from research to regulatory testing.

Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-Pyranones.

CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals

Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors

Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach.

Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation.

From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 protease inhibitors

Novel selective allosteric and bitopic ligands for the S1P(3) receptor.

Opportunities and challenges using artificial intelligence in ADME/Tox

Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse.

Possible allosteric interactions of monoindazole-substituted P2 cyclic urea analogues with wild-type and mutant HIV-1 protease.

Prediction of Aqueous Solubility, Vapor Pressure and Critical Micelle Concentration for Aquatic Partitioning of Perfluorinated Chemicals

The QSPR-THESAURUS: the online platform of the CADASTER project

The activities of drug inactive ingredients on biological targets