Molecular Property Prediction On Tox21 1

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ROC-AUC

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نتائج أداء النماذج المختلفة على هذا المعيار القياسي

		Paper Title
Deep-CBN	92.4	Integrating convolutional layers and biformer network with forward-forward and backpropagation training
BioAct-Het	89.80	BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representatio
IterRefLSTM	83.00	Low Data Drug Discovery with One-shot Learning
S-CGIB	80.94±0.17	Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck
Uni-Mol	79.6	Uni-Mol: A Universal 3D Molecular Representation Learning Framework
Uni-Mol	79.6	Galactica: A Large Language Model for Science
PretrainGNN	78.1	Strategies for Pre-training Graph Neural Networks
ChemRL-GEM	78.1	ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
Autogluon	77.84	AutoGluon-Tabular: Robust and Accurate AutoML for Structured Data
MolXPT	77.1	MolXPT: Wrapping Molecules with Text for Generative Pre-training
D-MPNN	75.9	Analyzing Learned Molecular Representations for Property Prediction
N-GramXGB	75.8	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
N-GramRF	74.3	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
GROVER (base)	74.3	Self-Supervised Graph Transformer on Large-Scale Molecular Data
GROVER (large)	73.5	Self-Supervised Graph Transformer on Large-Scale Molecular Data
GAL 120B	68.9	Galactica: A Large Language Model for Science
GAL 30B	68.5	Galactica: A Large Language Model for Science
GAL 6.7B	63.9	Galactica: A Large Language Model for Science
GAL 1.3B	60.6	Galactica: A Large Language Model for Science
GAL 125M	54.3	Galactica: A Large Language Model for Science

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Molecular Property Prediction On Tox21 1

المقاييس

النتائج