Can small drugs predict the intrinsic aqueous solubility of 'beyond Rule of 5' big drugs?
Abraham Solvation Equation (ABSOLV)
General Solubility Equation (GSE)
Partial Least Squares (PLS)
Random Forest regression (RFR)
Rule of 5 (Ro5), beyond Ro5 (bRo5)
Solubility Enhancement–Big Molecules (SEBM)
aqueous intrinsic solubility
intramolecular hydrogen bonding (IMHB)
Journal
ADMET & DMPK
ISSN: 1848-7718
Titre abrégé: ADMET DMPK
Pays: Croatia
ID NLM: 101660124
Informations de publication
Date de publication:
2020
2020
Historique:
received:
18
02
2019
revised:
14
04
2020
entrez:
18
3
2022
pubmed:
25
4
2020
medline:
25
4
2020
Statut:
epublish
Résumé
The aim of the study was to explore to what extent small molecules (mostly from the Rule of 5 chemical space) can be used to predict the intrinsic aqueous solubility, S
Identifiants
pubmed: 35300304
doi: 10.5599/admet.794
pmc: PMC8915605
doi:
Types de publication
Journal Article
Langues
eng
Pagination
180-206Informations de copyright
Copyright © 2020 by the authors.
Déclaration de conflit d'intérêts
Conflict of interest: The authors declare no conflict of interest.
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