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80 积分 2025-03-21 加入
An algorithmic framework for synthetic cost-aware decision making in molecular design
1天前
已完结
Laying a trap to kill cancer cells: PARP inhibitors and their mechanisms of action
25天前
已完结
Structural basis for allosteric PARP-1 retention on DNA breaks
26天前
已完结
Machine learning-aided generative molecular design
1个月前
已完结
Specific killing of BRCA2-deficient tumours with inhibitors of poly(ADP-ribose) polymerase
3个月前
已完结
Predicting adverse drug reactions for combination pharmacotherapy with cross-scale associative learning via attention modules
4个月前
已完结
SynGFN: learning across chemical space with generative flow-based molecular discovery
6个月前
已完结
Real-world validation of a structure-aware pipeline for molecular design
6个月前
已完结
OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds
6个月前
已完结
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
8个月前
已完结
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