Multi-objective active machine learning rapidly improves structure–activity models and reveals new protein–protein interaction inhibitors
Author:
Affiliation:
1. Department of Chemistry and Applied Biosciences
2. ETH Zürich
3. 8093 Zürich
4. Switzerland
Abstract
Active machine learning puts artificial intelligence in charge of a sequential, feedback-driven discovery process.
Funder
Swiss National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/SC/C5SC04272K
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