Characterizing Chemical Similarity with Vibrational Spectroscopy: New Insights into the Substituent Effects in Monosubstituted Benzenes
Author:
Affiliation:
1. Department of Chemistry, Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas 75275-0314, United States
2. Institute of Modern Physics, Northwest University, Xi’an, Shaanxi 710069, People’s Republic of China
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b08298
Reference80 articles.
1. Molecular Similarity in Medicinal Chemistry
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3. On Outliers and Activity CliffsWhy QSAR Often Disappoints
4. Exploring Activity Cliffs in Medicinal Chemistry
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