Using Machine Learning To Inform Decisions in Drug Discovery: An Industry Perspective
Darren V. S. Green · ACS symposium series · 2019
Modern machine-learning techniques have powered a wave of creative approaches that aim to solve or improve long-standing productivity and attrition problems in drug discovery. While industrial practitioners are keen to embrace new technology, it is important for the community to understand the need to produce actionable decisions for scientists in the field and the implications o for how methods and models conceived, built, validated and their benefits quantified.