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1603.00856
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Molecular Graph Convolutions: Moving Beyond Fingerprints
2 March 2016
S. Kearnes
Kevin McCloskey
Marc Berndl
Vijay S. Pande
Patrick F. Riley
GNN
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Papers citing
"Molecular Graph Convolutions: Moving Beyond Fingerprints"
50 / 439 papers shown
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168
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SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction
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Multiparameter Persistent Homology for Molecular Property Prediction
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17 Nov 2023
Advancing Drug Discovery with Enhanced Chemical Understanding via Asymmetric Contrastive Multimodal Learning
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Graph Neural Networks with a Distribution of Parametrized Graphs
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Factor Graph Neural Networks
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02 Aug 2023
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206
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155
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Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats
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Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance
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Vidushi Sharma
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137
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Radoslav Dimitrov
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Ralph Abboud
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314
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03 Jul 2023
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252
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30 Jun 2023
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238
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137
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169
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GraphGANFed: A Federated Generative Framework for Graph-Structured Molecules Towards Efficient Drug Discovery
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