Ensemble Learning, Deep Learning-Based and Molecular Descriptor-Based Quantitative Structure–Activity Relationships

Ensemble Learning, Deep Learning-Based and Molecular Descriptor-Based Quantitative Structure–Activity Relationships

A deep learning-based quantitative structure–activity relationship analysis, namely the molecular image-based DeepSNAP–deep learning method, can successfully and automatically capture the spatial and temporal features in an image generated from a three-dimensional (3D) structure of a chemical compou...

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Bibliographic Details
Main Authors: Yasunari Matsuzaka, Yoshihiro Uesawa
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Molecules
Subjects:
DeepSNAP
ensemble learning
neural network
pharmacokinetics
regression model
Online Access:https://www.mdpi.com/1420-3049/28/5/2410

Internet

https://www.mdpi.com/1420-3049/28/5/2410

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