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    • Alexander Tropsha

    10 results in Authors: Alexander Tropsha

    Category: Agriculture and Food Chemistry
    ,
    Working Paper
    , Title:

    Novel Classification of Mono-Molecular Odorants using Standardized Semantic Profiles

    , Authors: Andrew Thieme, Daniel Korn, Vinicius Alves, Eugene Muratov, Alexander Tropsha

    262
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Sequence and structure conservation analysis of the key coronavirus proteins supports the feasibility of discovering broad-spectrum antiviral medications.

    , Authors: Cleber Melo-Filho, Tesia Bobrowski, Holli-Joi Martin, Zoe Sessions, Konstantin Popov, Nathaniel Moorman, Ralph Baric, Eugene Muratov, Alexander Tropsha

    233
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design

    , Authors: Mariya Popova, Boris Ginsburg, Alexander Tropsha, Olexandr Isayev

    1,547
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    PreSS/MD: Predictor of Skin Sensitization Caused by Chemicals Leaching from Medical Devices

    , Authors: Joyce Borba, Vinicius Alves, Rodolpho Braga, Daniel Korn, Nicole Kleinstreuer, Kevin Causey, Alexander Tropsha, Diego Rua, Eugene Muratov

    244
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    COVID-19 Knowledge Extractor (COKE): A Tool and a Web Portal to Extract Drug - Target Protein Associations from the CORD-19 Corpus of Scientific Publications on COVID-19

    , Authors: Daniel Korn, Vera Pervitsky, Tesia Bobrowski, Vinicius Alves, Charles Schmitt, Cristopher Bizon, Nancy Baker, Rada Chirkova, Artem Cherkasov, Eugene Muratov, Alexander Tropsha

    549
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    STopTox: An In-Silico Alternative to Animal Testing for Acute Systemic and TOPical TOXicity

    , Authors: Joyce V. V. B. Borba, Vinicius Alves, Rodolpho Braga, Daniel Korn, Kirsten Overdahl, Arthur C. Silva, Steven Hall, Erik Overdahl, Judy Strickland, DAvid Allen, Nicole Kleinstreuer, Carolina Andrade, Eugene Muratov, Alexander Tropsha

    710
    Downloads
    2
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

    , Authors: Tesia Bobrowski, Vinicius Alves, Cleber C. Melo-Filho, Daniel Korn, Scott S. Auerbach, Charles Schmitt, Eugene Muratov, Alexander Tropsha

    1,328
    Downloads
    4
    Citations
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    COVID-KOP: Integrating Emerging COVID-19 Data with the ROBOKOP Database

    , Authors: Daniel Korn, Tesia Bobrowski, Michael Li, Yaphet Kebede, Patrick Wang, Phillips Owen, Gaurav Vaidya, Eugene Muratov, Rada Chirkova, Cristopher Bizon, Alexander Tropsha

    651
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

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

    , Authors: Maria Korshunova, Niles Huang, Stephen Capuzzi, Dmytro S. Radchenko, Olena Savych, Yuriy S. Moroz, Carrow Wells, Timothy M. Willson, Alexander Tropsha, Olexandr Isayev

    1,008
    Downloads
    3
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening

    , Authors: Michael Brocidiacono, Paul Francoeur, Rishal Aggarwal, Konstantin Popov, David Koes, Alexander Tropsha

    529
    Downloads