遇见数据集

Crystallisation Kinetics Dataset

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Zenodo2026-06-23 更新2026-06-28 收录
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This dataset provides comprehensive experimental data for cooling crystallisation of multiple binary systems, collected as part of Work Package 3 (WP3) to support the development and validation of PharmaCrystNet. The dataset is organised into three components: compounds.json: Contains detailed information on the solutes and solvents used, including relevant physicochemical properties. experiments.json: Records the experimental conditions for each crystallisation trial, such as temperature profiles, concentrations, and results captured. systems.json: Includes processed outcomes derived from raw experimental measurements, capturing crystallisation results such as solubility curves and crystallisation kinetic parameters. Together, these datasets provide a source for training and validating data-driven models, including physic-informed neural networks (PINNs) and other machine learning models aimed at predicting crystallisation outcomes.

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Zenodo
创建时间:
2026-06-23
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