Publications by authors named "Barry A Bunin"

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Using Machine Learning to Parse Chemical Mixture Descriptions.
Alex M Clark, Peter Gedeck, Philip P Cheung, Barry A Bunin

ACS Omega· August 2021

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Capturing mixture composition: an open machine-readable format for representing mixed substances.
Alex M Clark, Leah R McEwen, Peter Gedeck, Barry A Bunin

J Cheminform· May 2019

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Data Mining and Computational Modeling of High-Throughput Screening Datasets.
Sean Ekins, Alex M Clark, Krishna Dole, Kellan Gregory, Andrew M Mcnutt, Barry A Bunin

Methods Mol Biol· January 2019

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Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB).
Sean Ekins, Anna Coulon Spektor, Alex M Clark, Krishna Dole, Barry A Bunin

Drug Discov Today· March 2017

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Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery.
Sean Ekins, Jair Lage de Siqueira-Neto, Laura-Isobel McCall, Malabika Sarker, Maneesh Yadav, Barry A Bunin

PLoS Negl Trop Dis· May 2016

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Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods.
Sean Ekins, Nadia K Litterman, Christopher A Lipinski, Barry A Bunin

Pharm Res· January 2016

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Computational prediction and validation of an expert's evaluation of chemical probes.
Nadia K Litterman, Christopher A Lipinski, Barry A Bunin, Sean Ekins

J Chem Inf Model· October 2014

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Fast and accurate semantic annotation of bioassays exploiting a hybrid of machine learning and user confirmation.
Alex M Clark, Barry A Bunin, Nadia K Litterman, Stephan C Schürer, Ubbo Visser

PeerJ· August 2014

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Ten simple rules for cultivating open science and collaborative R&D.
Hassan Masum, Aarthi Rao, Benjamin M Good, Matthew H Todd, Aled M Edwards, Barry A Bunin

PLoS Comput Biol· April 2014

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Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis.
Sean Ekins, Allen C Casey, David Roberts, Tanya Parish, Barry A Bunin

Tuberculosis (Edinb)· March 2014

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Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian models.
Sean Ekins, Robert C Reynolds, Scott G Franzblau, Baojie Wan, Joel S Freundlich, Barry A Bunin

PLoS One· December 2013

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The Collaborative Drug Discovery (CDD) database.
Sean Ekins, Barry A Bunin

Methods Mol Biol· September 2013

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Bayesian models leveraging bioactivity and cytotoxicity information for drug discovery.
Sean Ekins, Robert C Reynolds, Hiyun Kim, Mi-Sun Koo, Marilyn Ekonomidis, Barry A Bunin

Chem Biol· March 2013

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Combining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against Mycobacterium tuberculosis.
Malabika Sarker, Carolyn Talcott, Peter Madrid, Sidharth Chopra, Barry A Bunin

Pharm Res· August 2012

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Bottlenecks caused by software gaps in miRNA and RNAi research.
Sean Ekins, Ron Shigeta, Barry A Bunin

Pharm Res· July 2012

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Alternative business models for drug discovery.
Barry A Bunin, Sean Ekins

Drug Discov Today· August 2011

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Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties.
Rishi R Gupta, Eric M Gifford, Ted Liston, Chris L Waller, Moses Hohman, Barry A Bunin

Drug Metab Dispos· November 2010

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Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis.
Sean Ekins, Takushi Kaneko, Christopher A Lipinski, Justin Bradford, Krishna Dole, Barry A Bunin

Mol Biosyst· November 2010

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Chemical space: missing pieces in cheminformatics.
Sean Ekins, Rishi R Gupta, Eric Gifford, Barry A Bunin, Chris L Waller

Pharm Res· October 2010

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A collaborative database and computational models for tuberculosis drug discovery.
Sean Ekins, Justin Bradford, Krishna Dole, Anna Spektor, Kellan Gregory, Barry A Bunin

Mol Biosyst· May 2010

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Solid-phase synthesis of 1-substituted tetrahydroisoquinoline derivatives employing BOC-protected tetrahydroisoquinoline carboxylic acids.
Barry A Bunin, Jeffrey M Dener, Daphne E Kelly, Nick A Paras, James D Tario

J Comb Chem· May 2005

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Increasing the efficiency of small-molecule drug discovery.
Barry A Bunin

Drug Discov Today· September 2003

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