Simple Method (CHEM-SP) to Predict Solubility from 2-D Chemical Structures
Author:
Affiliation:
1. Product Development, Bristol-Myers Squibb Company, One Squibb Drive, New Brunswick, New Jersey 08903, United States
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.oprd.0c00404
Reference23 articles.
1. Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?
2. Solubility Challenge Revisited after Ten Years, with Multilab Shake-Flask Data, Using Tight (SD ∼ 0.17 log) and Loose (SD ∼ 0.62 log) Test Sets
3. Findings of the Challenge To Predict Aqueous Solubility
4. Contribution of solid-state properties to the aqueous solubility of drugs
5. Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log P
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