Exploring celecoxib polymorph landscape using AIMNet2 machine learning interatomic potential.
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| Title: | Exploring celecoxib polymorph landscape using AIMNet2 machine learning interatomic potential. |
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| Authors: | Zheng P; Department of Chemistry, Carnegie Mellon University Pittsburgh Pennsylvania 15213 USA olexandr@olexandrisayev.com., Abramov YA; Porton USA| J-Star Research Inc Cranbury NJ 08512 USA.; Eshelman School of Pharmacy, University of North Carolina Chapel Hill NC 27599 USA., Sun CC; Department of Industrial and Molecular Pharmaceutics, Purdue University 124C RHPH, 575 Stadium Mall Drive West Lafayette IN 47907 USA., Isayev O; Department of Chemistry, Carnegie Mellon University Pittsburgh Pennsylvania 15213 USA olexandr@olexandrisayev.com. |
| Source: | Chemical science [Chem Sci] 2026 Jun 10. Date of Electronic Publication: 2026 Jun 10. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: Print-Electronic Cited Medium: Print ISSN: 2041-6520 (Print) Linking ISSN: 20416520 NLM ISO Abbreviation: Chem Sci |
| Database: | MEDLINE Ultimate |
| ISSN: | 2041-6520 |
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| DOI: | 10.1039/d5sc09784c |
