2023 TOP Drug Discovery Review

2023 年度的顶会已经出炉，在此把关于 Drug Discovery 的部分筛选出来，以供后续学习。

人工智能

AAAI

paper	authors	code
Multi-Relational Contrastive Learning Graph Neural Network for Drug-Drug Interaction Event Prediction	Zhankun Xiong	url
DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations	Yuanfeng Ji	url
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery	Yunchao (Lance) Liu	url
Industry-Scale Orchestrated Federated Learning for Drug Discovery	Martijn Oldenhof	none
Detecting Anomalous Networks of Opioid Prescribers and Dispensers in Prescription Drug Data	Katie Rosman	none
On the Challenges of Using Reinforcement Learning in Precision Drug Dosing: Delay and Prolongedness of Action Effects	Sumana Basu	none

NeurlPS

paper	authors	code
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents	Xiuyuan Hu	url
CoDrug: Conformal Drug Property Prediction with Density Estimation under Covariate Shift	Siddhartha Laghuvarapu	url
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening	Bowen Gao	url
Lo-Hi: Practical ML Drug Discovery Benchmark	Simon Steshin	url
REFINE: A Fine-Grained Medication Recommendation System Using Deep Learning and Personalized Drug Interaction Modeling	Suman Bhoi	none

ACL

paper	authors	code
Detecting Contradictory COVID-19 Drug Efficacy Claims from Biomedical Literature	Daniel N. Sosa	url

CVPR

无相关文章。

ICML

paper	authors	code
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design	Jiaqi Guan	url
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions	Leo Klarner	url
Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language	Philipp Seidl	url
Learning Subpocket Prototypes for Generalizable Structure-based Drug Design	Zaixi Zhang	url

IJCAI

paper	authors	code
Multi-view Contrastive Learning Hypergraph Neural Network for Drug-Microbe-Disease Association Prediction	Luotao Liu	url

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数据库／数据挖掘／内容检索

SIGMOD

无相关文章

SIGKDD

paper	authors	code
Knowledge-augmented Graph Machine Learning for Drug Discovery: From Precision to Interpretability	Zhiqiang Zhong	url
Graph and Geometry Generative Modeling for Drug Discovery	Minkai Xu	none

ICDE

paper	authors	code
Decision Support System for Chronic Diseases Based on Drug-Drug Interactions	Tian Bian	url
DGDFS: Dependence Guided Discriminative Feature Selection for Predicting Adverse Drug-Drug Interaction : Extended Abstract	Jiajing Zhu	url
HyGNN: Drug-Drug Interaction Prediction via Hypergraph Neural Network	Khaled Mohammed Saifuddin	none

SIGIR

paper	authors	code
BioSift: A Dataset for Filtering Biomedical Abstracts for Drug Repurposing and Clinical Meta-Analysis	David Kartchner	url

VLDB

无相关文章。

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交叉/综合/新兴

无法下载 PDF 文件查看是否含有代码的条目，暂时置空。

WWW

paper	authors	code
MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning	Nianzu Yang