Computational antidiabetic assessment of Salvia splendens L. polyphenols: SMOTE, ADME, ProTox, docking, and molecular dynamic studies

Computational antidiabetic assessment of Salvia splendens L. polyphenols: SMOTE, ADME, ProTox, docking, and molecular dynamic studies

This study utilizes artificial intelligence and machine learning to enhance drug discovery, focusing on the antidiabetic effects of Salvia splendens leaf extract among the global epidemic of diabetes mellitus. Employing the SMOTE oversampling strategy confirmed that the generated dataset mirrored th...

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Bibliographic Details
Main Authors: Hatun A. Alomar, Wafaa M. El Kady, Asmaa A. Mandour, Amany A. Naim, Neveen I. Ghali, Taghreed A. Ibrahim, Noha Fathallah
Format: Article
Language:English
Published: Elsevier 2025-03-01
Series:Results in Chemistry
Subjects:
Salvia splendens
Artificial intelligence
Antidiabetics
SMOTE
Docking
Molecular dynamic simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625000645
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