Solubility prediction in the bRo5 chemical space: where are we right now?

Modelling the solubility of compounds in the “beyond Rule of 5” (bRo5) chemical space is in its infancy and to date only a few studies have been reported in the literature. Based on our own results, and those already published, we conclude that consideration of conformational flexibility and chamele...

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Bibliographic Details
Main Authors: Giuseppe Ermondi, Vasanthanathan Poongavanam, Maura Vallaro, Jan Kihlberg, Giulia Caron
Format: Article
Language:English
Published: International Association of Physical Chemists (IAPC) 2020-07-01
Series:ADMET and DMPK
Online Access:https://pub.iapchem.org/ojs/index.php/admet/article/view/834