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70 积分 2024-06-07 加入
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search
1天前
已完结
PADFrag: A Database Built for the Exploration of Bioactive Fragment Space for Drug Discovery
1天前
已完结
Image-based generation for molecule design with SketchMol
20天前
已完结
REINVENT 2.0: An AI Tool for De Novo Drug Design
28天前
已完结
Deep Lead Optimization: Leveraging Generative AI for Structural Modification
29天前
已完结
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning
1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
1个月前
已完结
Automatic generation of Markush structures from specific compounds
1个月前
已关闭
A deep generative model for molecule optimization via one fragment modification
2个月前
已完结
Pre-training with Fractional Denoising to Enhance Molecular Property Prediction
3个月前
已完结
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