Neural Network Based QSPR Study for Predicting pKa of Phenols in Different Solvents
Author:
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery
Reference60 articles.
1. High-throughput pKascreening and prediction amenable for ADME profiling
2. Absolute pKa Determinations for Substituted Phenols
3. Ionization of Organic Acids in Dimethyl Sulfoxide Solution: A Theoretical Ab Initio Calculation of the pKa Using a New Parametrization of the Polarizable Continuum Model
4. First-Principle Predictions of Absolute pKa's of Organic Acids in Dimethyl Sulfoxide Solution
5. Computation of pKa from Dielectric Continuum Theory
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