Machine Learning in Drug Discovery and Development Part 1: A Primer.

ABSTRACT: Artificial intelligence, in particular machine learning (ML), has emerged as a key promising pillar to overcome the high failure rate in drug development. Here, we present a primer on the ML algorithms most commonly used in drug discovery and development. We also list possible data sources, describe good practices for ML model development and validation, and share a reproducible example. A companion article will summarize applications of ML in drug discovery, drug development, and postapproval phase.

SUBMITTER: Talevi A 

PROVIDER: S-EPMC7080529 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature