Prediction of Major Regio‐, Site‐, and Diastereoisomers in Diels–Alder Reactions by Using Machine‐Learning: The Importance of Physically Meaningful Descriptors
Author:
Affiliation:
1. Institute of Organic Chemistry Polish Academy of Sciences ul. Kasprzaka 44/52 01-224 Warsaw Poland
2. Center for Soft and Living Matter and Department of Chemistry UNIST 50, UNIST-gil, Eonyang-eup, Ulju-gun Ulsan South Korea
Funder
Defense Sciences Office, DARPA
Publisher
Wiley
Subject
General Chemistry,Catalysis
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.201806920
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2. Supervised Machine Learning Methods Applied to Predict Ligand- Binding Affinity
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