pKa Prediction of Monoprotic Small Molecules the SMARTS Way
Author:
Affiliation:
1. Department of Medicinal Chemistry, College of Pharmacy, University of Michigan, Ann Arbor, Michigan 48109
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci8001815
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4. Wells, J. I.InPharmaceutical Preformulation;Ellis Horwood Ltd.:New York, 1988; p25.
5. Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors
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