ML Research Wiki / Benchmarks / Drug Discovery / PCBA

PCBA

Drug Discovery Benchmark

Performance Over Time

📊 Showing 2 results | 📏 Metric: AUC

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Model	Paper	AUC	Date	Actions
GraphConv + dummy super node	Learning Graph-Level Representation for Drug Disc…	0.87	2017-09-12
GraphConv	Convolutional Networks on Graphs for Learning Mol…	0.86	2015-09-30

Rank	Model	Paper	AUC	Date	Code
1	GraphConv + dummy super node	Learning Graph-Level Representation for Drug Discovery	0.87	2017-09-12	📦 microljy/graph_level_drug_discovery 📦 ZJULearning/graph_level_drug_discovery
2	GraphConv	Convolutional Networks on Graphs for Learning Molecular Fingerprints	0.86	2015-09-30	📦 HIPS/neural-fingerprint 📦 debbiemarkslab/neural-fingerprint-theano 📦 nrel/m2p

2017

GraphConv + dummy super node

microljy/graph_level_drug_discovery ZJULearning/graph_level_drug_discovery

2015

GraphConv

HIPS/neural-fingerprint debbiemarkslab/neural-fingerprint-theano