Computational intelligence analysis on drug solubility using thermodynamics and interaction mechanism via models comparison and validation

Abstract This study investigates the application of various regression models for predicting drug solubility in polymer and API-polymer interactions in complex datasets. Four models—Gaussian Process Regression (GPR), Support Vector Regression (SVR), Bayesian Ridge Regression (BRR), and Kernel Ridge...

Cijeli opis

Bibliografski detalji

Glavni autori:	Ahmad J. Obaidullah, Wael A. Mahdi
Format:	Artigo
Jezik:	Inglês
Izdano:	Nature Portfolio 2024-11-01
Serija:	Scientific Reports
Teme:	Drug design Drug solubility Gaussian process regression Hyper-parameter optimization Fireworks algorithm
Online pristup:	https://doi.org/10.1038/s41598-024-80952-8
Oznake:	Dodaj oznaku Bez oznaka, Budi prvi tko označuje ovaj zapis!