<p>Bayesian optimization for small molecule hits generation</p>

Pavel Yakovlev

doi:10.7490/f1000research.1115230.1

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Yakovlev P. Bayesian optimization for small molecule hits generation [version 1; not peer reviewed]. F1000Research 2018, 7:104 (slides) (https://doi.org/10.7490/f1000research.1115230.1)

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Bayesian optimization for small molecule hits generation

Pavel Yakovlev¹

Published 24 Jan 2018 (https://doi.org/10.7490/f1000research.1115230.1)

Author Affiliations

¹ BIOCAD, Russian Federation

Copyright © 2018 Yakovlev P. This is an open access work distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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CITE

Published 24 Jan 2018

Bayesian optimization for small molecule hits generation
[version 1; not peer reviewed]

Pavel Yakovlev¹

Author Affiliations

¹ BIOCAD, Russian Federation

Presented at

Future Biotech Winter Retreat 2018

17th Schrödinger Annual European User Meeting 2017

Abstract

Competing Interests

No competing interests were disclosed

Keywords

Small molecules, computational chemistry, neural networks

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