[Elsevier] DTA-GNN: a toolkit for constructing target-specific drug每target affinity datasets and training graph neural networks |
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Reward20points
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Impact of Fintech on supply chain resilience
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Hierarchical tremella flower of P-doped cobalt molybdenum oxide/layered double hydroxide nanocomposite as bifunctional electrocatalysts for overall water splitting
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Tetrahedral molecular pretraining for enhanced property prediction
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Novel imidazolium salts bearing 2-oxindoles scaffold as potent acetylcholinesterase inhibitors for Alzheimer's disease: Design, synthesis, in vitro and in silico studies
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MT-DiffGen: Unifying affinity prediction and target-aware molecule generation with a multi-task diffusion model
