3.8 Proceedings Paper

Expressive Graph Informer Networks

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Rapid prediction of NMR spectral properties with quantified uncertainty

Eric Jonas et al.

JOURNAL OF CHEMINFORMATICS (2019)

Article Chemistry, Multidisciplinary

MoleculeNet: a benchmark for molecular machine learning

Zhenqin Wu et al.

CHEMICAL SCIENCE (2018)

Article Biochemistry & Molecular Biology

Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery

Jaak Simm et al.

CELL CHEMICAL BIOLOGY (2018)

Article Biochemistry & Molecular Biology

Molecular graph convolutions: moving beyond fingerprints

Steven Kearnes et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2016)

Article Biochemistry & Molecular Biology

The ChEMBL bioactivity database: an update

A. Patricia Bento et al.

NUCLEIC ACIDS RESEARCH (2014)

Article Computer Science, Artificial Intelligence

The Graph Neural Network Model

Franco Scarselli et al.

IEEE TRANSACTIONS ON NEURAL NETWORKS (2009)