Tyler B Hughes

Tyler B Hughes

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Tyler B Hughes

Tyler B Hughes

Publications by authors named "Tyler B Hughes"

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13Publications

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The Metabolic Rainbow: Deep Learning Phase I Metabolism in Five Colors.

J Chem Inf Model 2020 Mar 24;60(3):1146-1164. Epub 2020 Feb 24.

Department of Pathology and Immunology, Washington University School of Medicine, Campus Box 8118, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.

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http://dx.doi.org/10.1021/acs.jcim.9b00836DOI Listing
March 2020

Modeling Small-Molecule Reactivity Identifies Promiscuous Bioactive Compounds.

J Chem Inf Model 2018 08 23;58(8):1483-1500. Epub 2018 Jul 23.

Department of Pathology and Immunology , Washington University in St. Louis , Saint Louis , Missouri 63110 , United States.

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http://dx.doi.org/10.1021/acs.jcim.8b00104DOI Listing
August 2018

Computationally Assessing the Bioactivation of Drugs by N-Dealkylation.

Chem Res Toxicol 2018 02 6;31(2):68-80. Epub 2018 Feb 6.

Department of Pathology and Immunology, Washington University School of Medicine , Campus Box 8118, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.

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http://dx.doi.org/10.1021/acs.chemrestox.7b00191DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5871345PMC
February 2018

Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes.

Chem Res Toxicol 2017 04 14;30(4):1046-1059. Epub 2017 Mar 14.

Department of Pathology and Immunology, Washington University School of Medicine , Campus Box 8118, 660 S. Euclid Avenue, St. Louis, Missouri 63110, United States.

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http://dx.doi.org/10.1021/acs.chemrestox.6b00336DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5871347PMC
April 2017

Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism.

Chem Res Toxicol 2017 02 2;30(2):642-656. Epub 2017 Feb 2.

Department of Pathology and Immunology, Washington University School of Medicine , Campus Box 8118, 660 S. Euclid Avenue, St. Louis, Missouri 63110, United States.

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http://dx.doi.org/10.1021/acs.chemrestox.6b00385DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5871348PMC
February 2017

A simple model predicts UGT-mediated metabolism.

Bioinformatics 2016 10 20;32(20):3183-3189. Epub 2016 Jun 20.

Department of Pathology and Immunology, Washington University School of Medicine, Campus Box 8118, 660 S. Euclid Ave, St. Louis, MO 63110, USA.

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https://academic.oup.com/bioinformatics/article-lookup/doi/1
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http://dx.doi.org/10.1093/bioinformatics/btw350DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5939911PMC
October 2016

Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network.

ACS Cent Sci 2016 Aug 29;2(8):529-37. Epub 2016 Jul 29.

Department of Pathology and Immunology, Washington University School of Medicine , Campus Box 8118, 660 South Euclid Avenue, St. Louis, Missouri 63110, United States.

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http://dx.doi.org/10.1021/acscentsci.6b00162DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4999971PMC
August 2016

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.

Authors:
Wesley C Van Voorhis John H Adams Roberto Adelfio Vida Ahyong Myles H Akabas Pietro Alano Aintzane Alday Yesmalie Alemán Resto Aishah Alsibaee Ainhoa Alzualde Katherine T Andrews Simon V Avery Vicky M Avery Lawrence Ayong Mark Baker Stephen Baker Choukri Ben Mamoun Sangeeta Bhatia Quentin Bickle Lotfi Bounaadja Tana Bowling Jürgen Bosch Lauren E Boucher Fabrice F Boyom Jose Brea Marian Brennan Audrey Burton Conor R Caffrey Grazia Camarda Manuela Carrasquilla Dee Carter Maria Belen Cassera Ken Chih-Chien Cheng Worathad Chindaudomsate Anthony Chubb Beatrice L Colon Daisy D Colón-López Yolanda Corbett Gregory J Crowther Noemi Cowan Sarah D'Alessandro Na Le Dang Michael Delves Joseph L DeRisi Alan Y Du Sandra Duffy Shimaa Abd El-Salam El-Sayed Michael T Ferdig José A Fernández Robledo David A Fidock Isabelle Florent Patrick V T Fokou Ani Galstian Francisco Javier Gamo Suzanne Gokool Ben Gold Todd Golub Gregory M Goldgof Rajarshi Guha W Armand Guiguemde Nil Gural R Kiplin Guy Michael A E Hansen Kirsten K Hanson Andrew Hemphill Rob Hooft van Huijsduijnen Takaaki Horii Paul Horrocks Tyler B Hughes Christopher Huston Ikuo Igarashi Katrin Ingram-Sieber Maurice A Itoe Ajit Jadhav Amornrat Naranuntarat Jensen Laran T Jensen Rays H Y Jiang Annette Kaiser Jennifer Keiser Thomas Ketas Sebastien Kicka Sunyoung Kim Kiaran Kirk Vidya P Kumar Dennis E Kyle Maria Jose Lafuente Scott Landfear Nathan Lee Sukjun Lee Adele M Lehane Fengwu Li David Little Liqiong Liu Manuel Llinás Maria I Loza Aristea Lubar Leonardo Lucantoni Isabelle Lucet Louis Maes Dalu Mancama Nuha R Mansour Sandra March Sheena McGowan Iset Medina Vera Stephan Meister Luke Mercer Jordi Mestres Alvine N Mfopa Raj N Misra Seunghyun Moon John P Moore Francielly Morais Rodrigues da Costa Joachim Müller Arantza Muriana Stephen Nakazawa Hewitt Bakela Nare Carl Nathan Nathalie Narraidoo Sujeevi Nawaratna Kayode K Ojo Diana Ortiz Gordana Panic George Papadatos Silvia Parapini Kailash Patra Ngoc Pham Sarah Prats David M Plouffe Sally-Ann Poulsen Anupam Pradhan Celia Quevedo Ronald J Quinn Christopher A Rice Mohamed Abdo Rizk Andrea Ruecker Robert St Onge Rafaela Salgado Ferreira Jasmeet Samra Natalie G Robinett Ulrich Schlecht Marjorie Schmitt Filipe Silva Villela Francesco Silvestrini Robert Sinden Dennis A Smith Thierry Soldati Andreas Spitzmüller Serge Maximilian Stamm David J Sullivan William Sullivan Sundari Suresh Brian M Suzuki Yo Suzuki S Joshua Swamidass Donatella Taramelli Lauve R Y Tchokouaha Anjo Theron David Thomas Kathryn F Tonissen Simon Townson Abhai K Tripathi Valentin Trofimov Kenneth O Udenze Imran Ullah Cindy Vallieres Edgar Vigil Joseph M Vinetz Phat Voong Vinh Hoan Vu Nao-Aki Watanabe Kate Weatherby Pamela M White Andrew F Wilks Elizabeth A Winzeler Edward Wojcik Melanie Wree Wesley Wu Naoaki Yokoyama Paul H A Zollo Nada Abla Benjamin Blasco Jeremy Burrows Benoît Laleu Didier Leroy Thomas Spangenberg Timothy Wells Paul A Willis

PLoS Pathog 2016 07 28;12(7):e1005763. Epub 2016 Jul 28.

Medicines for Malaria Venture, Geneva, Switzerland.

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http://dx.doi.org/10.1371/journal.ppat.1005763DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4965013PMC
July 2016

Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network.

ACS Cent Sci 2015 Jul 9;1(4):168-80. Epub 2015 Jun 9.

Department of Pathology and Immunology, Washington University School of Medicine , Campus Box 8118, 660 South Euclid Avenue, St. Louis, Missouri 63110, United States.

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http://dx.doi.org/10.1021/acscentsci.5b00131DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4827534PMC
July 2015

Extending P450 site-of-metabolism models with region-resolution data.

Bioinformatics 2015 Jun 19;31(12):1966-73. Epub 2015 Feb 19.

Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA.

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http://dx.doi.org/10.1093/bioinformatics/btv100DOI Listing
June 2015

XenoSite server: a web-available site of metabolism prediction tool.

Bioinformatics 2015 Apr 18;31(7):1136-7. Epub 2014 Nov 18.

Division of Biology and Biological Sciences and Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA.

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http://dx.doi.org/10.1093/bioinformatics/btu761DOI Listing
April 2015

Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione.

Chem Res Toxicol 2015 Apr 16;28(4):797-809. Epub 2015 Mar 16.

†Department of Pathology and Immunology, Washington University School of Medicine, Campus Box 8118, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.

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http://pubs.acs.org/doi/10.1021/acs.chemrestox.5b00017
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http://dx.doi.org/10.1021/acs.chemrestox.5b00017DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5871349PMC
April 2015