Molecular representations in AI-driven drug discovery: a review and practical guide

Abstract The technological advances of the past century, marked by the computer revolution and the advent of high-throughput screening technologies in drug discovery, opened the path to the computational analysis and visualization of bioactive molecules. For this purpose, it became necessary to repr...

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Bibliographic Details
Main Authors: Laurianne David, Amol Thakkar, Rocío Mercado, Ola Engkvist
Format: Article
Language:English
Published: BMC 2020-09-01
Series:Journal of Cheminformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s13321-020-00460-5