Co-crystallization: a green approach for the solubility enhancement of poorly soluble drugs

Bhatia, Meenakshi; Devi, Sunita

doi:10.1039/d3ce01047c

CrystEngComm

2024

DOI: 10.1039/d3ce01047c

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Co-crystallization: a green approach for the solubility enhancement of poorly soluble drugs

Meenakshi Bhatia,

Sunita Devi

Abstract: The co-crystallization of pharmaceutical drugs is gaining consideration because it is an environmentally friendly and potentially effective technique to improve the solubility and bioavailability of poorly soluble drugs.

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Optimization of drug solubility inside the supercritical CO2 system via numerical simulation based on artificial intelligence approach

Li,

Jiang,

Zhao

et al. 2024

Sci Rep

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In this research paper, we explored the predictive capabilities of three different models of Polynomial Regression (PR), Extreme Gradient Boosting (XGB), and LASSO to estimate the density of supercritical carbon dioxide (SC-CO 2 ) and the solubility of niflumic acid as functions of the input variables of temperature and pressure. The optimization of hyperparameters for these models is achieved using the innovative Barnacles Mating Optimizer (BMO) algorithm. For SC-CO 2 density estimation, PR exhibits remarkable accuracy, showing an R-squared value of 0.99207 for data fitting. XGB performs admirably with an R 2 of 0.92673, while LASSO model demonstrates good predictive ability, showing an R 2 of 0.81917. Furthermore, we assess the models’ performance in predicting the solubility of niflumic acid. PR exhibits excellent predictive capabilities with an R 2 of 0.96949. XGB also delivers strong performance, yielding an R-squared score of 0.92961. LASSO performs well, achieving an R-squared score of 0.82094. The results indicated promising performance of machine learning models and optimizer in estimating drug solubility in supercritical CO 2 as the solvent applicable for pharmaceutical industry.

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Optimization of drug solubility inside the supercritical CO2 system via numerical simulation based on artificial intelligence approach

Li,

Jiang,

Zhao

et al. 2024

Sci Rep

View full text Add to dashboard Cite

show abstract

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Co-crystallization: a green approach for the solubility enhancement of poorly soluble drugs

Abstract: The co-crystallization of pharmaceutical drugs is gaining consideration because it is an environmentally friendly and potentially effective technique to improve the solubility and bioavailability of poorly soluble drugs.

Cited by 1 publication

References 204 publications

Optimization of drug solubility inside the supercritical CO2 system via numerical simulation based on artificial intelligence approach

Optimization of drug solubility inside the supercritical CO2 system via numerical simulation based on artificial intelligence approach

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