Bridging the Gap between Differential Mobility, Log S, and Log P Using Machine Learning and SHAP Analysis
Author:
Affiliation:
1. Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada
2. Watermine Innovation, Waterloo, Ontario N0B 2T0, Canada
3. Centre for Eye and Vision Research, Hong Kong Science Park, New Territories 999077, Hong Kong
Funder
Government of Canada
Hong Kong Government
Ontario Centres of Excellence
Deutsche Forschungsgemeinschaft
Natural Sciences and Engineering Research Council of Canada
Government of Ontario
Ontario Ministry of Research, Innovation and Science
InnoHK Initiative
Publisher
American Chemical Society (ACS)
Subject
Analytical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.3c00921
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3. Prediction of aqueous intrinsic solubility of druglike molecules using Random Forest regression trained with Wiki-pS0 database
4. Solubilization of steroid hormones by polyoxyethylene lauryl ether.
5. Log P , a yesterday's value?
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