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Deep learning is now widely used in drug discovery, providing significant acceleration and cost reduction.
Strategies for pre-training graph neural networks
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DrugBank 5.0: a major update to the DrugBank database for 2018
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Mole-bert: Rethinking pre-training graph neural networks for molecules
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Pre-training via denoising for molecular property prediction
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Unifying molecular and textual representations via multi-task language modelling
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A Systematic Survey of Chemical Pre-trained Models
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Interactive Molecular Discovery with Natural Language
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GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
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Uni-Mol: a universal 3D molecular representation learning framework
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