Prediction of GPCR activity using machine learning

Prediction of GPCR activity using machine learning

GPCRs are the target for one-third of the FDA-approved drugs, however; the development of new drug molecules targeting GPCRs is limited by the lack of mechanistic understanding of the GPCR structure–activity-function relationship. To modulate the GPCR activity with highly specific drugs and minimal...

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Bibliographic Details
Main Authors: Prakarsh Yadav, Parisa Mollaei, Zhonglin Cao, Yuyang Wang, Amir Barati Farimani
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
GPCRs
Machine Learning
Convolutional Neural Networks
Graph Neural Networks
protein featurization
G-Protein Coupled Receptors
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037022001726

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http://www.sciencedirect.com/science/article/pii/S2001037022001726

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