Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure
Author:
Affiliation:
1. Department of Chemistry, 152 Davey Laboratory, Penn State University, University Park, Pennsylvania 16802
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci970117f
Reference49 articles.
1. Neural Network Modeling for Estimation of the Aqueous Solubility of Structurally Related Drugs
2. The Hydrophobic Propensity of Water toward Amphiprotic Solutes: Predicton and Molecular Origin of the Aqueous Solubility of Aliphatic Alcohols
3. Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation
4. Prediction of aqueous solubility and octanol—water partition coefficient for pesticides based on their molecular structure
5. Prediction of the aqueous solubility of proton-acceptor oxygen-containing compounds by the mobile order solubility model
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