A Multi‐Task Self‐Supervised Strategy for Predicting Molecular Properties and FGFR1 Inhibitors

A Multi‐Task Self‐Supervised Strategy for Predicting Molecular Properties and FGFR1 Inhibitors

Abstract Studying the molecular properties of drugs and their interactions with human targets aids in better understanding the clinical performance of drugs and guides drug development. In computer‐aided drug discovery, it is crucial to utilize effective molecular feature representations for predict...

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Bibliographic Details
Main Authors: Xin Yang, Yang Wang, Ye Lin, Mingxuan Zhang, Ou Liu, Jianwei Shuai, Qi Zhao
Format: Article
Language:English
Published: Wiley 2025-04-01
Series:Advanced Science
Subjects:
FGFR1
graph neural networks
molecular properties
multi‐task strategy
pretraining framework
Online Access:https://doi.org/10.1002/advs.202412987
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