QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking

QSAR analysis of VEGFR-2 inhibitors based on machine learning, Topomer CoMFA and molecule docking

Abstract VEGFR-2 kinase inhibitors are clinically approved drugs that can effectively target cancer angiogenesis. However, such inhibitors have adverse effects such as skin toxicity, gastrointestinal reactions and hepatic impairment. In this study, machine learning and Topomer CoMFA, which is an ali...

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Bibliographic Details
Main Authors: Hao Ding, Fei Xing, Lin Zou, Liang Zhao
Format: Article
Language:English
Published: BMC 2024-03-01
Series:BMC Chemistry
Subjects:
VEGFR-2
Structure–activity relationship model
Machine learning
Molecular docking
Online Access:https://doi.org/10.1186/s13065-024-01165-8

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