Article

Automated In Silico Identification of Drug Candidates for Coronavirus Through a Novel Programmatic Tool and Extensive Computational (MD, DFT) Studies of Select Drug Candidates

2020-08-16

Abstract excerpt

The work is composed of python based programmatic tool that automates the dry lab drug discovery workflow for coronavirus. Firstly, the python program is written to automate the process of data mining PubChem database to collect data required to perform a machine learning based AutoQSAR algorithm through which drug leads for coronavirus are generated. The data acquisition from PubChem was carried out through pytho...

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Literature Corpus work: f9779511-6475-5ea8-8ffe-1d6ef3e37e09
DOI: 10.26434/chemrxiv.12423638.v3

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