Stephen J. Capuzzi

发表

Chembench: A Publicly Accessible, Integrated Cheminformatics Portal

Alexander Tropsha, Diane Pozefsky, Eugene N. Muratov, 2017, J. Chem. Inf. Model..

Vinicius M. Alves, Denis Fourches, Alexander Tropsha, 2016, Green chemistry : an international journal and green chemistry resource : GC.

Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS

Alexander Tropsha, Eugene N. Muratov, Stephen J. Capuzzi, 2017, J. Chem. Inf. Model..

Data and codes behind "Crowdsourced mapping of unexplored target space of kinase inhibitors"

Avner Schlessinger, Tudor I. Oprea, Anna Cichonska, 2021 .

Progress towards a public chemogenomic set for protein kinases and a call for contributions

Stephen J. Capuzzi, T. Willson, Mathias Frederiksen, 2017, bioRxiv.

QSAR Modeling of Tox21 Challenge Stress Response and Nuclear Receptor Signaling Toxicity Assays

Stephen J. Capuzzi, O. Isayev, A. Tropsha, 2016, Front. Environ. Sci..

Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.

Paul Shinn, Shihua He, Wei Zheng, 2018, Journal of medicinal chemistry.

Synergistic drug combinations and machine learning for drug repurposing in chordoma

Tammy M. Havener, Kimberley M. Zorn, Daniel H. Foil, 2020, Scientific Reports.

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization.

Alexander Tropsha, Denis Fourches, Nicole Kleinstreuer, 2016, Green chemistry : an international journal and green chemistry resource : GC.

Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing

Stephen J. Capuzzi, A. Tropsha, A. Jadhav, 2017, Oncotarget.

Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds

Stephen J. Capuzzi, T. Willson, O. Isayev, 2022, Communications Chemistry.

Synthesis and structure activity relationships of DCLK1 kinase inhibitors based on a 5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one scaffold.

Stephen J. Capuzzi, A. Tropsha, N. Gray, 2020, Journal of Medicinal Chemistry.

Multi-Descriptor Read Across (MuDRA): a simple and transparent approach for developing accurate QSAR models

Wai In Lam, Vinicius M. Alves, Stephen J. Capuzzi, 2021 .

Design, synthesis and evaluation of antiproliferative activity of fluorinated betulinic acid.

Stephen J. Capuzzi, K. Lee, Ling-Chu Chang, 2019, Bioorganic & medicinal chemistry.

Somatic loss of function mutations in neurofibromin 1 and MYC associated factor X genes identified by exome-wide sequencing in a wild-type GIST case

Stephen J. Capuzzi, J. Chien, A. Godwin, 2015, BMC Cancer.

Crowdsourced mapping of unexplored target space of kinase inhibitors

Avner Schlessinger, Tudor I. Oprea, Anna Cichonska, 2020, Nature Communications.

Crowdsourced mapping extends the target space of kinase inhibitors

Tudor I. Oprea, Kristen K. Dang, Stephen J. Capuzzi, 2020 .

Mining Complex Biomedical Literature for Actionable Knowledge on Rare Diseases

Anthony J. Hickey, Nancy C. Baker, Eugene Muratov, 2020 .

CATMoS: Collaborative Acute Toxicity Modeling Suite

Kimberley M. Zorn, Daniel P. Russo, Timothy E. H. Allen, 2021, Environmental health perspectives.

Development of Narrow Spectrum ATP-competitive Kinase Inhibitors as Probes for BIKE and AAK1

Stephen J. Capuzzi, T. Willson, R. Couñago, 2016, bioRxiv.

Design and Profiling of a Subcellular Targeted Optogenetic cAMP-Dependent Protein Kinase.

Stephen J. Capuzzi, Laura E. Herring, D. Lawrence, 2017, Cell chemical biology.

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

Amir K. Foroushani, Yuanfang Guan, Jaewoo Kang, 2019, Nature Communications.

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models

Alexander Golbraikh, Alexander Tropsha, Diane Pozefsky, 2018, J. Chem. Inf. Model..

Knowledge-based approaches to drug discovery for rare diseases.

Nancy C. Baker, Rada Y. Chirkova, Stephen J. Capuzzi, 2021, Drug discovery today.

Defining clinical outcome pathways.

Stephen W. Edwards, Rada Y. Chirkova, Stephen J. Capuzzi, 2022, Drug discovery today.

SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules

Alexey V Zakharov, Adam Yasgar, Alexander Tropsha, 2020, J. Chem. Inf. Model..

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

Stephen J. Capuzzi, T. Willson, O. Isayev, 2021 .

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

Alexander Tropsha, Thomas Luechtefeld, Eugene N. Muratov, 2018 .

Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards

Stephen J. Capuzzi, A. Tropsha, E. Muratov, 2017, Pharmaceuticals.

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

Stephen P. Boyd, Kimberley M. Zorn, Daniel P. Russo, 2021, Environmental health perspectives.

Development of Narrow Spectrum ATP-competitive Kinase Inhibitors as Probes for BIKE and AAK1

Stephen J. Capuzzi, T. Willson, R. Couñago, 2016, bioRxiv.

SGC-GAK-1: a chemical probe for cyclin G associated kinase (GAK)

Stephen J. Capuzzi, T. Willson, S. Knapp, 2018, bioRxiv.