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Theoretical and Computational Chemistry

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Olexandr Oksiuta

2 results in Authors: Olexandr Oksiuta

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

Version 1 posted 09 July 2021

1,573

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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

Version 2 posted 28 June 2021

1,960

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1

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