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44 积分 2022-09-14 加入
Discovery and Optimization of a Novel Series of Pyrazolopyrimidines as Spermine Oxidase Inhibitors
28天前
已完结
MTEGDRP: Interpretable Molecular Self-Attention Transformer and Equivariant Graph Neural Network Based on Multi-Omics Fusion for Drug Response Prediction in Cancer Cell Lines
1个月前
已完结
Discovery and Structure–Activity Relationship Studies of Diazepine Derivatives as a New Class of Ferroptosis Inhibitors with Potent Efficacy in the Doxorubicin-Induced Cardiomyopathy Model
1个月前
已完结
More Accurate Binding Free Energy Prediction Using Protein Homology and Ligand-Based Transfer Learning
1个月前
已关闭
Benchmarking algorithms for generalizable single-cell perturbation response prediction
2个月前
已完结
AI-enabled language models (LMs) to large language models (LLMs) and multimodal large language models (MLLMs) in drug discovery and development
3个月前
已完结
SynGFN: learning across chemical space with generative flow-based molecular discovery
3个月前
已完结
FragOPT: An ML-Driven Computational Workflow for Rational Fragments Optimization Toward Lead Compounds
5个月前
已完结
Predicting drug responses of unseen cell types through transfer learning with foundation models
5个月前
已完结
Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction
5个月前
已关闭
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