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    • Dragos Horvath

    7 results in Authors: Dragos Horvath

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

    A Chemographic Audit of Anti-Coronavirus Structure-Activity Information from Public Databases (ChEMBL)

    , Authors: Dragos Horvath, Alexey Orlov, Dmitry Osolodkin, Gilles Marcou, Aydar A. Ishmukhametov, Alexandre Varnek

    595
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Discovery of Novel Chemical Reactions by Deep Generative Recurrent Neural Network

    , Authors: William Bort, Igor I. Baskin, Pavel Sidorov, Gilles Marcou, Dragos Horvath, Timur Madzhidov, Alexandre Varnek, Timur Gimadiev, Ramil Nugmanov, Artem Mukanov

    996
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    NP Navigator: a New Look at the Natural Product Chemical Space

    , Authors: Yuliana Zabolotna, Peter Ertl, Dragos Horvath, Fanny Bonachera, Gilles Marcou, Alexandre Varnek

    425
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    SynthI: a new open-source tool for synthon-based library design

    , Authors: Yuliana Zabolotna, Dmitriy Volochnyuk, Sergey Ryabukhin, Kostiantyn Gavrylenko, Dragos Horvath, Olga Klimchuk, Olexandr Oksiuta, Gilles Marcou, Alexandre Varnek

    1,096
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Inverse QSAR: reversing descriptor-driven prediction pipeline using attention-based conditional variational autoencoder (ACoVAE)

    , Authors: William Bort, Daniyar Mazitov, Dragos Horvath, Fanny Bonachera, Arkadii Lin, Gilles Marcou, Igor Baskin, Timur Madzhidov, Alexandre Varnek

    178
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A close-up look at the chemical space of commercially available building blocks for medicinal chemistry

    , Authors: Yuliana Zabolotna, Dmitriy Volochnyuk, Sergey Ryabukhin, Dragos Horvath, Kostiantyn Gavrylenko, Gilles Marcou, Yurii Moroz, Olexandr Oksiuta, Alexandre Varnek

    1,263
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Exploration of the chemical space of DNA-encoded libraries

    , Authors: Yuliana Zabolotna, Regina Pikalyova, Dmitriy Volochnyuk, Dragos Horvath, Gilles Marcou, Alexandre Varnek

    719
    Downloads