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July 14, 2020ACS Medicinal Chemistry Letters156 citationsOpen Access

The Advent of Generative Chemistry

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QVQuentin VanhaelenYLYen‐Chu LinAZAlex Zhavoronkov

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Abstract

molecular design. Those techniques aim at a more efficient use of the data and a better exploration of the chemical space. We review recent advances for the generation of novel molecules with desired properties with a focus on the applications of GANs, RL, and related techniques. We also discuss the current limitations and challenges in the new growing field of generative chemistry.

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Vanhaelen et al. (2020) studied this question.

synapsesocial.com/papers/6a1650a4a2d9d2b88ec517d2https://doi.org/10.1021/acsmedchemlett.0c00088
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