Publications by authors named "Stephen Capuzzi"

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Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds.
Vinicius M Alves, Adam Yasgar, James Wellnitz, Ganesha Rai, Marielle Rath, Stephen J Capuzzi

J Med Chem· September 2023

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Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds.
Maria Korshunova, Niles Huang, Stephen Capuzzi, Dmytro S Radchenko, Olena Savych

Commun Chem· October 2022

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Defining clinical outcome pathways.
Daniel Korn, Andrew J Thieme, Vinicius M Alves, Michael Yeakey, Joyce V V B Borba, Stephen J Capuzzi

Drug Discov Today· June 2022

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Knowledge-based approaches to drug discovery for rare diseases.
Vinicius M Alves, Daniel Korn, Vera Pervitsky, Andrew Thieme, Stephen J Capuzzi

Drug Discov Today· February 2022

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Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes L Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Stephen J Capuzzi

Environ Health Perspect· October 2021

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Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Stephen J Capuzzi

Environ Health Perspect· July 2021

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Crowdsourced mapping of unexplored target space of kinase inhibitors.
Anna Cichońska, Balaguru Ravikumar, Robert J Allaway, Fangping Wan, Sungjoon Park, Stephen Capuzzi

Nat Commun· June 2021

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CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes L Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Stephen J Capuzzi

Environ Health Perspect· April 2021

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Correction to "Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6-benzo[]pyrimido[5,4-][1,4]diazepin-6-one Scaffold".
Fleur M Ferguson, Yan Liu, Wayne Harshbarger, Ling Huang, Jinhua Wang, Stephen J Capuzzi

J Med Chem· September 2020

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SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
Vinicius M Alves, Stephen J Capuzzi, Rodolpho C Braga, Daniel Korn, Joshua E Hochuli

J Chem Inf Model· August 2020

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Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6-benzo[]pyrimido[5,4-][1,4]diazepin-6-one Scaffold.
Fleur M Ferguson, Yan Liu, Wayne Harshbarger, Ling Huang, Jinhua Wang, Stephen J Capuzzi

J Med Chem· July 2020

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Synergistic drug combinations and machine learning for drug repurposing in chordoma.
Edward Anderson, Tammy M Havener, Kimberley M Zorn, Daniel H Foil, Thomas R Lane, Stephen J Capuzzi

Sci Rep· July 2020

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Design, synthesis and evaluation of antiproliferative activity of fluorinated betulinic acid.
Jizhen Li, Ling-Chu Chang, Kan-Yen Hsieh, Pei-Ling Hsu, Stephen J Capuzzi

Bioorg Med Chem· July 2019

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SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK).
Christopher R M Asquith, Benedict-Tilman Berger, Jing Wan, James M Bennett, Stephen J Capuzzi

J Med Chem· March 2019

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Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility".
Vinicius M Alves, Joyce Borba, Stephen J Capuzzi, Eugene Muratov, Carolina H Andrade

Toxicol Sci· January 2019

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Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models.
Vinicius M Alves, Alexander Golbraikh, Stephen J Capuzzi, Kammy Liu, Wai In Lam

J Chem Inf Model· June 2018

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Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.
Stephen J Capuzzi, Wei Sun, Eugene N Muratov, Carles Martínez-Romero, Shihua He

J Med Chem· April 2018

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Chemotext: A Publicly Available Web Server for Mining Drug-Target-Disease Relationships in PubMed.
Stephen J Capuzzi, Thomas E Thornton, Kammy Liu, Nancy Baker, Wai In Lam

J Chem Inf Model· February 2018

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Design and Profiling of a Subcellular Targeted Optogenetic cAMP-Dependent Protein Kinase.
Colin P O'Banion, Melanie A Priestman, Robert M Hughes, Laura E Herring, Stephen J Capuzzi

Cell Chem Biol· January 2018

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Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
Min Shen, Rosita Asawa, Ya-Qin Zhang, Elizabeth Cunningham, Hongmao Sun, Stephen J Capuzzi

Oncotarget· January 2018

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Progress towards a public chemogenomic set for protein kinases and a call for contributions.
David H Drewry, Carrow I Wells, David M Andrews, Richard Angell, Hassan Al-Ali, Stephen J Capuzzi

PLoS One· October 2017

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Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards.
Katelyn M Arnold, Stephen J Capuzzi, Yongmei Xu, Eugene N Muratov, Kevin Carrick

Pharmaceuticals (Basel)· July 2017

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Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS.
Stephen J Capuzzi, Eugene N Muratov, Alexander Tropsha

J Chem Inf Model· March 2017

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QSAR models of human data can enrich or replace LLNA testing for human skin sensitization.
Vinicius M Alves, Stephen J Capuzzi, Eugene Muratov, Rodolpho C Braga, Thomas Thornton

Green Chem· December 2016

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Alarms about structural alerts.
Vinicius Alves, Eugene Muratov, Stephen Capuzzi, Regina Politi, Yen Low

Green Chem· August 2016

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