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molecular property prediction

110 papers

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Also known as

MPP

Co-occurring keywords · papers mentioning both

graph neural network (66) representation learning (16) molecular representation (12) contrastive learning (11) self-supervised learning (10) drug discovery (9) molecular representation learning (8) transfer learning (8) few-shot learning (8) message passing neural network (7)

Papers

MOTIF-Driven Contrastive Learning of Graph Representations AAAI 2021 Property-Aware Relation Networks for Few-Shot Molecular Property Prediction NeurIPS 2021 Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules AAAI 2020 Communicative Representation Learning on Attributed Molecular Graphs IJCAI 2020 InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization ICLR 2020 Strategies for Pre-training Graph Neural Networks ICLR 2020 Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective AAAI 2019 Neural Message Passing for Quantum Chemistry ICML 2017 Convolutional Networks on Graphs for Learning Molecular Fingerprints NeurIPS 2015 Learning Invariant Representations of Molecules for Atomization Energy Prediction NeurIPS 2012