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CrystEngComm, 2024, 26, 4782
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Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal

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CrystEngComm, 2025, 27, 2577
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Affinity prediction computations and mechanosynthesis of carbamazepine based cocrystals

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CrystEngComm, 2019, 21, 6991
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Distinct Hybrid Hydrates of Paritaprevir: Combined Experimental and Computational Assessment of their Hydration–Dehydration Behavior and Implications for Regulatory Controls

Richard S. Hong, Rajni Miglani Bhardwaj, Rodger Henry, Alessandra Mattei, Moiz Diwan, Albert Thomas, Gerald D. Danzer and Ahmad Y. Sheikh

Crystal Growth & Design, 2022, 22, 726
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Exploring Potential Coformer Screening Techniques Based on Experimental and Virtual Strategies in the Manufacturing of Pharmaceutical Cocrystal of Efavirenz

Dattatraya Yadav, Jignasa Savjani, Ketan Savjani and Harsh Shah

J Pharm Innov, 2023
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Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations

Lulu Zheng, Bin Zhu, Zengrui Wu, Mei Guo, Jinyao Chen, Minghuang Hong, Guixia Liu, Weihua Li, Guobin Ren and Yun Tang

J. Chem. Inf. Model., 2023, 63, 4301
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Crystal Growth in Gels from the Mechanisms of Crystal Growth to Control of Polymorphism: New Trends on Theoretical and Experimental Aspects

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Solvate Prediction for Pharmaceutical Organic Molecules with Machine Learning

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Crystal Growth & Design, 2019, 19, 1903
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In silico cocrystal screening using COSMO-RS: A rapid and efficient approach for solubility prediction and crystal engineering

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Journal of Molecular Liquids, 2025, 433, 127841
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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 Comprehensive Review on Theoretical Screening Methods for Pharmaceutical Cocrystals

J. Roshni and T. Karthick

Journal of Molecular Structure, 2025, 1321, 139868
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Rational Solvent Selection for Pharmaceutical Impurity Purge

Yuriy A. Abramov

Crystal Growth & Design, 2018, 18, 1208
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Intermolecular Interactions and Solubility Behavior of Multicomponent Crystal Forms of Orotic Acid: Prediction and Experiments

Bo Lin, Yu Liu, MengWei Wang, Yan Wang, Shichao Du, JunBo Gong and Songgu Wu

Crystal Growth & Design, 2021, 21, 1473
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Emerging Landscape of Computational Modeling in Pharmaceutical Development

Yuriy A. Abramov, Guangxu Sun and Qun Zeng

J. Chem. Inf. Model., 2022, 62, 1160
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Pharmaceutical Cocrystals: Regulatory and Strategic Aspects, Design and Development

Dipak Dilip Gadade and Sanjay Sudhakar Pekamwar

Adv Pharm Bull, 2016, 6, 479
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Exploration of the Solid Forms of Cepharanthine: Crystal Structure and Phase Transformation

Chiyi Wang, Zihan Li, Shuyang Zhou, Jinqiu Fu, Jingjing Zhao, Yihang Hou, Yuzhong Shi, Wei Zhuang, Hanjie Ying, Pengpeng Yang and Keke Zhang

Crystal Growth & Design, 2023, 23, 5509
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Computational Screening of Drug Solvates

Christoph Loschen and Andreas Klamt

Pharm Res, 2016, 33, 2794
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Cocrystal Ternary Phase Diagrams from Density Functional Theory and Solvation Thermodynamics

Christoph Loschen and Andreas Klamt

Crystal Growth & Design, 2018, 18, 5600
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Mechanochemical and solution syntheses of two novel cocrystals of orcinol with two N,N′-Dipyridines: Structural diversity with varying ligand flexibility

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Engineering Cocrystals of Poorly Water-Soluble Drugs to Enhance Dissolution in Aqueous Medium

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Pharmaceutics, 2018, 10, 108
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A review on advancement of cocrystallization approach and a brief on screening, formulation and characterization of the same

Dhruv C. Sakhiya and Chetan H. Borkhataria

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Unlocking the Potential of Machine Learning in Co‐crystal Prediction by a Novel Approach Integrating Molecular Thermodynamics

Yutong Song, Yewei Ding, Junyi Su, Jian Li and Yuanhui Ji

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Crystalline Multicomponent Solids: An Alternative for Addressing the Hygroscopicity Issue in Pharmaceutical Materials

Tejender S. Thakur and Ranjit Thakuria

Crystal Growth & Design, 2020, 20, 6245
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A Comparison of Methods for Computing Relative Anhydrous–Hydrate Stability with Molecular Simulation

Eric C. Dybeck, Andrew Thiel, Michael J. Schnieders, Frank C. Pickard, Geoffrey P.F. Wood, Joseph F. Krzyzaniak and Bruno C. Hancock

Crystal Growth & Design, 2023, 23, 142
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Salt Cocrystallization of Loxoprofen Sodium with Sugar: Reduction of the Propensity for Hydrate Formation by Forming a Continuous One-Dimensional Chain Structure of Sodium and Sugar

Takayuki Fujito, Tsumugi Oshima, Kenjirou Higashi, Keisuke Ueda, Masataka Ito, Hyuma Masu, Shuji Noguchi and Kunikazu Moribe

Crystal Growth & Design, 2022, 22, 1094
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SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation

Lulu Zheng, Bin Zhu, Zengrui Wu, Fang Liang, Minghuang Hong, Guixia Liu, Weihua Li, Guobin Ren and Yun Tang

J. Chem. Inf. Model., 2021, 61, 4290
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In-silico methods of cocrystal screening: A review on tools for rational design of pharmaceutical cocrystals

Arun Kumar and Arun Nanda

Journal of Drug Delivery Science and Technology, 2021, 63, 102527
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Unlocking the Potential of Machine Learning in Co‐crystal Prediction by a Novel Approach Integrating Molecular Thermodynamics

Yutong Song, Yewei Ding, Junyi Su, Jian Li and Yuanhui Ji

Angewandte Chemie, 2025, 137
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Computational Screening of Multicomponent Solid Forms of 2-Aryl-Propionate Class of NSAID, Zaltoprofen, and Their Experimental Validation

Sibananda G. Dash and Tejender S. Thakur

Crystal Growth & Design, 2021, 21, 449
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Combining Theoretical and Data-Driven Approaches To Predict Drug Substance Hydrate Formation

Carl J. Tilbury, Jie Chen, Alessandra Mattei, Shuang Chen and Ahmad Y. Sheikh

Crystal Growth & Design, 2018, 18, 57
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