Artificial intelligence paradigm for ligand-based virtual screening on the drug discovery of type 2 diabetes mellitus

Artificial intelligence paradigm for ligand-based virtual screening on the drug discovery of type 2 diabetes mellitus

Abstract Background New dipeptidyl peptidase-4 (DPP-4) inhibitors need to be developed to be used as agents with low adverse effects for the treatment of type 2 diabetes mellitus. This study aims to build quantitative structure-activity relationship (QSAR) models using the artificial intelligence pa...

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Bibliographic Details
Main Authors: Alhadi Bustamam, Haris Hamzah, Nadya A. Husna, Sarah Syarofina, Nalendra Dwimantara, Arry Yanuar, Devvi Sarwinda
Format: Article
Language:English
Published: SpringerOpen 2021-05-01
Series:Journal of Big Data
Subjects:
Quantitative structure-activity relationship
K-modes clustering
CatBoost
Rotation Forest
principal component analysis
Sparse principal component analysis
Online Access:https://doi.org/10.1186/s40537-021-00465-3

Internet

https://doi.org/10.1186/s40537-021-00465-3

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