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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Dragos Horvath

6 results in Dragos Horvath

Theoretical and Computational Chemistry

Discovery of Novel Chemical Reactions by Deep Generative Recurrent Neural Network

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

947

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Theoretical and Computational Chemistry

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

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

230

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Theoretical and Computational Chemistry

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

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

527

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Theoretical and Computational Chemistry

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

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

189

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Theoretical and Computational Chemistry

Exploration of the chemical space of DNA-encoded libraries

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

360

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Theoretical and Computational Chemistry

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

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

775

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