Issue 41, 2020

A user-friendly application for predicting the outcome of co-crystallizations

Abstract

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).

Graphical abstract: A user-friendly application for predicting the outcome of co-crystallizations

Supplementary files

Article information

Article type
Communication
Submitted
25 Jūl. 2020
Accepted
21 Sept. 2020
First published
30 Sept. 2020

CrystEngComm, 2020,22, 6776-6779

Author version available

A user-friendly application for predicting the outcome of co-crystallizations

N. Sarkar, J. Mitra, M. Vittengl, L. Berndt and C. B. Aakeröy, CrystEngComm, 2020, 22, 6776 DOI: 10.1039/D0CE01074J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements