Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey
from Precision to Interpretability

Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability

16 February 2023

Zhiqiang Zhong

Papers citing "Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability"

13 / 13 papers shown

Title
Benchmarking Large Language Models for Molecule Prediction Tasks Zhiqiang Zhong Kuangyu Zhou Davide Mottin 21 5 0 08 Mar 2024
Efficiently Predicting Mutational Effect on Homologous Proteins by Evolution Encoding Zhiqiang Zhong Davide Mottin 16 1 0 20 Feb 2024
Harnessing Large Language Models as Post-hoc Correctors Zhiqiang Zhong Kuangyu Zhou Davide Mottin 14 3 0 20 Feb 2024
On the Robustness of Post-hoc GNN Explainers to Label Noise Zhiqiang Zhong Yangqianzi Jiang Davide Mottin AAML NoLa 8 2 0 04 Sep 2023
OntoProtein: Protein Pretraining With Gene Ontology Embedding Ningyu Zhang Zhen Bi Xiaozhuan Liang Shuyang Cheng Haosen Hong Shumin Deng J. Lian Qiang Zhang Huajun Chen 88 86 0 23 Jan 2022
Directional Message Passing on Molecular Graphs via Synthetic Coordinates Johannes Klicpera Chandan Yeshwanth Stephan Günnemann 25 34 0 08 Nov 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 106 294 0 07 Oct 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 157 185 0 01 Feb 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 183 1,218 0 08 Jan 2021
The Future of Digital Health with Federated Learning Nicola Rieke Jonny Hancox Wenqi Li Fausto Milletari H. Roth ... Ronald M. Summers Andrew Trask Daguang Xu Maximilian Baust M. Jorge Cardoso OOD 164 1,690 0 18 Mar 2020
A Survey on Knowledge Graphs: Representation, Acquisition and Applications Shaoxiong Ji Shirui Pan Erik Cambria Pekka Marttinen Philip S. Yu 166 1,877 0 02 Feb 2020
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 181 878 0 07 Jun 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 152 1,748 0 02 Mar 2017