From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids

Sharmarke Mohamed and Liang Li

CrystEngComm, 2018, 20, 6026
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Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations

Anuja Venkata Sai Durga Surampudi, Satyasree Rajendrakumar, Jagadeesh Babu Nanubolu, Sridhar Balasubramanian, Artem O. Surov, Alexander P. Voronin and German L. Perlovich

CrystEngComm, 2020, 22, 6536
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Why does the niclosamide drug form solvates or hydrates?

Prasitaditya Kuri and Jagadeesh Babu Nanubolu

CrystEngComm, 2024, 26, 4313
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FDA/M-CERSI Co-Processed API Workshop Proceedings

Luke Schenck, Paresma Patel, Ramesh Sood, Llorente Bonaga, Peter Capella, Olivier Dirat, Deniz Erdemir, Steven Ferguson, Cinzia Gazziola, Lindsey Saunders Gorka, Laurie Graham, Raimundo Ho, Stephen Hoag, Ephrem Hunde, Billie Kline, Sau (Larry) Lee, Rapti Madurawe, Ivan Marziano, Jeremy Miles Merritt, Sharon Page, James Polli, Mahesh Ramanadham, Mohan Sapru, Ben Stevens, Tim Watson and Haitao Zhang

Journal of Pharmaceutical Sciences, 2023, 112, 2069
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Crystal forms in pharmaceutical applications: olanzapine, a gift to crystal chemistry that keeps on giving

Susan M. Reutzel-Edens and Rajni M. Bhardwaj

IUCrJ, 2020, 7, 955
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Accelerating Polymorph Screening with AI & ML: A New Era in Drug Development

Anantha Rajmohan Muthusamy, Diwakar Chauhan, Arvind Kumar Jain, Meenakshi Sundaram Somasundaram and Amit Singh

J. Res. Appl. Sci. Biotechnol., 2025, 4, 156
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Progress of Machine Learning in Molecular Crystal Design and Crystallization Development

Shengzhe Jia, Yiming Ma, Yuechao Cao, Zhenguo Gao, Sohrab Rohani, Junbo Gong and Jingkang Wang

Engineering, 2025
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Progress in Research on Artificial Intelligence Applied to Polymorphism and Cocrystal Prediction

Tianyu Heng, Dezhi Yang, Ruonan Wang, Li Zhang, Yang Lu and Guanhua Du

ACS Omega, 2021, 6, 15543
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A Simultaneous Differential Scanning Calorimetry–X-ray Diffraction Study of Olanzapine Crystallization from Amorphous Solid Dispersions

Sean Askin, Andrea D. Gonçalves, Min Zhao, Gareth R. Williams, Simon Gaisford and Duncan Q. M. Craig

Mol. Pharmaceutics, 2020, 17, 4364
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Applications of Artificial Intelligence and Machine Learning Algorithms to Crystallization

Christos Xiouras, Fabio Cameli, Gustavo Lunardon Quilló, Mihail E. Kavousanakis, Dionisios G. Vlachos and Georgios D. Stefanidis

Chem. Rev., 2022, 122, 13006
DOI: 10.1021/acs.chemrev.2c00141

Prediction of Solvate Based on Graph Attention Network

Shihui Sun, Jian-Rong Wang, Lei Tang, Zhehuan Fan, Xutong Li, Zifu Huang, Weizhong Han, Qinggong Wang, Jie Yu, Zhiyin Xie, Wenzhi Yang, Zeen Yang, Mingyue Zheng, Dingyan Wang, Xuefeng Mei and Xiaomin Luo

Crystal Growth & Design, 2025, 25, 297
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Assessing Solvate Prediction Approaches: A Case of Spironolactone

Lihong Jia, Mingxia Guo, Jiayu Dai, Wei Chen, Ling Zhou and Qiuxiang Yin

Crystal Growth & Design, 2023, 23, 832
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A review on possible mechanisms of sonocrystallisation in solution

Silvia Nalesso, Madeleine J. Bussemaker, Richard P. Sear, Mark Hodnett and Judy Lee

Ultrasonics Sonochemistry, 2019, 57, 125
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What Has Carbamazepine Taught Crystal Engineers?

Amy V. Hall, Aurora J. Cruz-Cabeza and Jonathan W. Steed

Crystal Growth & Design, 2024, 24, 7342
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The Ambiguous Functions of the Precursors That Enable Nonclassical Modes of Olanzapine Nucleation and Growth

Monika Warzecha, Alastair J. Florence and Peter G. Vekilov

Crystals, 2021, 11, 738
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Prediction of Mefenamic Acid Crystal Shape by Random Forest Classification

Siya Nakapraves, Monika Warzecha, Chantal L. Mustoe, Vijay Srirambhatla and Alastair J. Florence

Pharm Res, 2022, 39, 3099
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Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement

Fu Xiao, Yinxiang Cheng, Jian-Rong Wang, Dingyan Wang, Yuanyuan Zhang, Kaixian Chen, Xuefeng Mei and Xiaomin Luo

Pharmaceutics, 2022, 14, 2198
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