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Chang, Chen-Chia ; Pan, Jingyu ; Zhang, Tunhou ; Xie, Zhiyao ; Hu, Jiang ; Qi, Weiyi ; Lin, Chun-Wei ; Liang, Rongjian ; Mitra, Joydeep ; Fallon, Elias ; et al ( , International Conference on Computer-Aided Design (ICCAD))
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Sarkar, Nandini ; Mitra, Joydeep ; Vittengl, Molly ; Berndt, Lexi ; Aakeröy, Christer B. ( , CrystEngComm)null (Ed.)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