Optimization and validation of drug solubility by development of advanced artificial intelligence models

Yaoyang Liu, Drai Ahmed Smait, Abbas Yaseen Naser,Farag M. A. Altalbawy, Hala Bahri,Ali Abdul Kadhim Ruhaima, Thura Zayad Fathallah,Salema K. Hadrawi,Refad E. Alsaddon,Abdullah Alshetaili,Amal M. Alsubaiyel

Journal of Molecular Liquids（2023）

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摘要

•Solubility enhancement through advanced artificial intelligence model.•Applying different modeless of machine learning such as Random Forest, Extremely Random Trees, and Gradient Boosting Trees.•The GBRT has shown the less error rate and can be used as the best model.

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关键词

Anticancer drug,Supercritical fluids,Simulation,Machine learning,Model validation

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