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Prediction and Preparation of Coamorphous Phases of a Bislactam

Chambers, Luke I.; Musa, Osama M.; Steed, Jonathan W.

Prediction and Preparation of Coamorphous Phases of a Bislactam Thumbnail


Luke I. Chambers

Osama M. Musa


The effectiveness of a partial least squares-discriminant analysis coamorphous prediction model was tested using coamorphous screening data for a promising coamorphous former, the dimer of N-vinyl(caprolactam) (bisVCap) with a range of active pharmaceutical ingredients. The prediction model predicted 71% of the systems correctly. An experimental coamorphous screen was performed with this coformer with 13 different active pharmaceutical ingredients, and the results were compared to the predictions from the model. A total of 85% of the systems were correctly predicted. Stability assessments of three coamorphous systems showed that the prediction model score did not strongly correlate with the stability of the coamorphous material. The model performed well with small-molecule coformers, such as bisVCap, despite the difference in structure and properties compared to the amino-acid-based model training set.


Chambers, L. I., Musa, O. M., & Steed, J. W. (2022). Prediction and Preparation of Coamorphous Phases of a Bislactam. Molecular Pharmaceutics, 19(7), 2651-2661.

Journal Article Type Article
Acceptance Date Jun 13, 2022
Online Publication Date Jun 22, 2022
Publication Date Jul 4, 2022
Deposit Date Jul 6, 2022
Publicly Available Date Jul 6, 2022
Journal Molecular Pharmaceutics
Print ISSN 1543-8384
Electronic ISSN 1543-8392
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 19
Issue 7
Pages 2651-2661


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