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Proposed Improvements for Automated Chemical Safety Evaluations Using In-Silico Techniques

This version is not peer-reviewed.

Submitted:

24 May 2020

Posted:

25 May 2020

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Abstract
The vastness of chemical-space constrains traditional drug-discovery methods to the organic laws that are guiding the chemistry involved in filtering through candidates. Leveraging computing with machine-learning to intelligently generate compounds that meet a wide range of objectives can bring significant gains in time and effort needed to filter through a broad range of candidates. This paper details how the use of Generative-Adversarial-Networks, novel machine learning techniques to format the training dataset and the use of quantum computing offer new ways to expedite drug-discovery.
Keywords: 
Subject: 
Medicine and Pharmacology  -   Pharmacology and Toxicology
Copyright: This open access article is published under a Creative Commons CC BY 4.0 license, which permit the free download, distribution, and reuse, provided that the author and preprint are cited in any reuse.
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