Barun Bhhatarai

发表

Opportunities and challenges using artificial intelligence in ADME/Tox

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

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

Rajni Garg, Barun Bhhatarai, 2008, J. Comput. Aided Mol. Des..

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

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

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

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

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

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

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.

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.

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.

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.

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

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

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

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

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.

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.