Assisting Multitargeted Ligand Affinity Prediction of Receptor Tyrosine Kinases Associated Nonsmall Cell Lung Cancer Treatment with Multitasking Principal Neighborhood Aggregation

Assisting Multitargeted Ligand Affinity Prediction of Receptor Tyrosine Kinases Associated Nonsmall Cell Lung Cancer Treatment with Multitasking Principal Neighborhood Aggregation

A multitargeted therapeutic approach with hybrid drugs is a promising strategy to enhance anticancer efficiency and overcome drug resistance in nonsmall cell lung cancer (NSCLC) treatment. Estimating affinities of small molecules against targets of interest typically proceeds as a preliminary action...

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Bibliographic Details
Main Authors: Fahsai Nakarin, Kajjana Boonpalit, Jiramet Kinchagawat, Patcharapol Wachiraphan, Thanyada Rungrotmongkol, Sarana Nutanong
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Molecules
Subjects:
quantitative structure–activity relationship (QSAR)
machine learning
multitasking
affinity prediction
drug discovery
Online Access:https://www.mdpi.com/1420-3049/27/4/1226

Internet

https://www.mdpi.com/1420-3049/27/4/1226

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