(124b) Crystal Structure Prediction Applications - Going Beyond a Stable Form Selection | AIChE

(124b) Crystal Structure Prediction Applications - Going Beyond a Stable Form Selection

Authors 

Abramov, Y. - Presenter, VP of Scientific Affairs, Xtalpi
Yang, M., XtalPi Inc.
Sun, G., XtalPi Inc.
Zhou, Y., XtalPi Inc.
Zeng, Q., XtalPi Inc.
Shen, Z., XtalPi Inc.
Crystal structure prediction (CSP) in pharmaceutical industry is typically performed to support commercial solid form selection of a freebase API. However, the variety of tasks of solid state chemistry in industry is much broader than that important application. The presentation will cover some virtual screening CSP-based applications such as poor solubility improvement during lead optimization and coformer screening for cocrystallization.