A Predictive Tool for Electrophilic Aromatic Substitutions Using Machine Learning
Author:
Funder
AstraZeneca
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.joc.8b02270
Reference52 articles.
1. The medicinal chemist's toolbox for late stage functionalization of drug-like molecules
2. Synthesis and Late-Stage Functionalization of Complex Molecules through C–H Fluorination and Nucleophilic Aromatic Substitution
3. CH Activation: A Complementary Tool in the Total Synthesis of Complex Natural Products
4. The Essential Role of Bond Energetics in C–H Activation/Functionalization
5. C–H Functionalization of Azines
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