Results 271 to 280 of about 4,217,992 (292)

An efficient curriculum learning-based strategy for molecular graph learning

Briefings in Bioinformatics, 2022
Qijin Yin, Rui Cao, Jiao Li
exaly  

Applicability Domains Based on Molecular Graph Contrastive Learning Enable Graph Attention Network Models to Accurately Predict 15 Environmental End Points

Environmental Science & Technology, 2023
Jingwen Chen, Zhongyu Wang, Haobo Wang   +2 more
exaly  

Representation of molecular graphs by basic graphs

Journal of Chemical Information and Computer Sciences, 1992
openaire   +1 more source

Molecular substructure graph attention network for molecular property identification in drug discovery

Pattern Recognition, 2022
Weiqi Luo, Quanlong Guan, Zhao-Rong Lai   +2 more
exaly  

A compact review of molecular property prediction with graph neural networks

Drug Discovery Today: Technologies, 2020
Melaine A Kuenemann, Arthur Garon, Thierry Langer   +2 more
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3DMol-Net: Learn 3D Molecular Representation Using Adaptive Graph Convolutional Network Based on Rotation Invariance

IEEE Journal of Biomedical and Health Informatics, 2022
Junfeng Yao, Jin Li, Wei Wei
exaly  

Attention-wise masked graph contrastive learning for predicting molecular property

Briefings in Bioinformatics, 2022
exaly  

The current state of molecular testing in the treatment of patients with solid tumors, 2019

Ca-A Cancer Journal for Clinicians, 2019
Edward Kim, John Marshall, Jubilee Brown   +2 more
exaly  

Graph theory and molecular orbitals. XII. Acyclic polyenes

Journal of Chemical Physics, 1975
Trinajstić N, Gutman I
exaly  

An abstract representation for molecular graphs

2000
Philippe Vismara, Claude Laurenço
openaire   +2 more sources