Machine learning analysis of molecular dynamics properties influencing drug solubility

Abstract Solubility is critical in drug discovery and development, as it significantly influences a medication’s bioavailability and therapeutic efficacy. Understanding solubility at the early stages of drug discovery is essential for minimizing resource consumption and enhancing the likelihood of c...

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Bibliographic Details
Main Authors: Zeinab Sodaei, Saeid Ekrami, Seyed Majid Hashemianzadeh
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-025-11392-1
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