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Title: A user-friendly application for predicting the outcome of co-crystallizations
An automated application, CoForm, was used for predicting the outcomes of attempted co-crystallizations between two active pharmaceutical ingredients, loratadine and desloratadine, and 41 potential co-formers from the general interest (OGI) list. The predictive abilities of the app were compared to structure-informatics tools based on hydrogen-bond propensity (HBP) and molecular complementarity (MC). The results indicate that CoForm delivered a success rate of 78% for both loratadine and desloratadine compared to 76% and 54%, respectively (HBP), and 39% and 22%, respectively (MC).  more » « less
Award ID(s):
1852182
PAR ID:
10222809
Author(s) / Creator(s):
; ; ; ;
Date Published:
Journal Name:
CrystEngComm
Volume:
22
Issue:
41
ISSN:
1466-8033
Page Range / eLocation ID:
6776 to 6779
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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