A molecularly enhanced proof of concept for targeting cocrystals at molecular scale in continuous pharmaceuticals cocrystallization

Author:

Asgarpour Khansary Milad1,Shirazian Saeed2,Walker Gavin3

Affiliation:

1. Confirm Smart Manufacturing, University of Limerick, Limerick, V94 C928 Ireland

2. Department of Chemical Science, Bernal Institute, University of Limerick, Limerick, V94 T9PX Ireland

3. Synthesis and Solid State Pharmaceutical Centre, Bernal Institute, University of Limerick, Limerick, V94 T9PX Ireland

Abstract

SignificanceThis contribution offers a proof of concept to make it possible to target a specific (co)crystal at molecular scale within a continuous process. The paper, while addressing a very important issue in public health, i.e., high-efficiency medicine production, also emphasizes the significance of computational material science and data science in generating proper understanding of a process and its optimal operating conditions.

Funder

EC | Horizon 2020 Framework Programme

Science Foundation Ireland

Publisher

Proceedings of the National Academy of Sciences

Subject

Multidisciplinary

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