B. Bhhatarai

发表

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

Daniel M. Wilson, P. Price, M. Bartels, 2015, Toxicological sciences : an official journal of the Society of Toxicology.

The activities of drug inactive ingredients on biological targets

Samuel T. Slocum, E. Berg, J. Irwin, 2020, Science.

A sphingosine 1-phosphate receptor 2 selective allosteric agonist.

Steven J Brown, S. Schürer, M. Guerrero, 2013, Bioorganic & medicinal chemistry.

Performance evaluation of the GastroPlusTM software tool for prediction of the toxicokinetic parameters of chemicals

M. Bartels, B. Bhhatarai, T. Auernhammer, 2018, SAR and QSAR in environmental research.

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

Daniel M. Wilson, Amanda K. Parks, P. Price, 2016, Environmental health perspectives.

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

Steven J Brown, S. Schürer, M. Guerrero, 2012, ACS chemical biology.

Allosteric Inhibition of the IRE1α RNase Preserves Cell Viability and Function during Endoplasmic Reticulum Stress

Dustin J Maly, E. Snapp, R. Ghosh, 2014, Cell.

Allosteric Inhibition of the IRE1a RNase Preserves Cell Viability and Function during Endoplasmic Reticulum Stress

E. Snapp, R. Ghosh, F. R. Papa, 2015 .

Allosteric Inhibition of the IRE 1 a RNase Preserves Cell Viability and Function during Endoplasmic Reticulum Stress

Dustin J Maly, E. Snapp, R. Ghosh, 2014 .

Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors

Dustin J Maly, F. R. Papa, M. Seeliger, 2012, Nature chemical biology.

Prediction of aqueous solubility, vapor pressure and critical micelle concentration for aquatic partitioning of perfluorinated chemicals.

Paola Gramatica, Barun Bhhatarai, P. Gramatica, 2011, Environmental science & technology.

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

Igor V. Tetko, Paola Gramatica, Tomas Öberg, 2011, Molecular informatics.

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

Paola Gramatica, Barun Bhhatarai, P. Gramatica, 2011, Molecular Diversity.

Per- and polyfluoro toxicity (LC(50) inhalation) study in rat and mouse using QSAR modeling.

Paola Gramatica, Barun Bhhatarai, P. Gramatica, 2010, Chemical research in toxicology.

The QSPR-THESAURUS: The Online Platform of the CADASTER Project

Paola Gramatica, Stefano Cassani, Igor V Tetko, 2014, Alternatives to laboratory animals : ATLA.

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.

Pamela J Spencer, Barun Bhhatarai, Daniel M. Wilson, 2016, Chemical research in toxicology.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Ruili Huang, Scott Boyer, Xin Hu, 2020, Environmental health perspectives.

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

Menghang Xia, Anna Forsby, Judy Strickland, 2017, Toxicology in vitro : an international journal published in association with BIBRA.

Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning.

P Gramatica, P. Gramatica, B Bhhatarai, 2011, Water research.

GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge framework

Amar Koleti, Stephan C. Schürer, Uma Vempati, 2013, Bioinform..

Opportunities and challenges using artificial intelligence in ADME/Tox

Sean Ekins, Guido Lanza, W Patrick Walters, 2019, Nature Materials.

Comparative QSAR as a Cheminformatics Tool in the Design of Dihydro- Pyranone Based HIV-1 Protease Inhibitors

R. Garg, B. Bhhatarai, 2008 .

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

Rajni Garg, Barun Bhhatarai, R. Garg, 2005, Bioorganic & medicinal chemistry.

A sphingosine 1-phosphate receptor 2 selective allosteric agonist.

Steven J Brown, S. Schürer, M. Guerrero, 2013, Bioorganic & medicinal chemistry.

Abstract 1142: Discovery of FMC-376 a novel orally bioavailable inhibitor of activated KRASG12C

Johannes C. Hermann, R. Neve, R. Everley, 2023, Cancer Research.

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

Rajni Garg, Barun Bhhatarai, R. Garg, 2004, Bioorganic & medicinal chemistry.