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288 积分 2022-08-09 加入
Active Learning in Drug Discovery: Revolutionizing Chemical Space Exploration
6天前
已完结
Traversing chemical space with active deep learning for low-data drug discovery
6天前
已完结
Using filters in virtual screening: A comprehensive guide to minimize errors and maximize efficiency
16天前
已完结
AlphaFold2 structures guide prospective ligand discovery
18天前
已完结
Large library docking identifies positive allosteric modulators of the calcium-sensing receptor
18天前
已完结
Deep contrastive learning enables genome-wide virtual screening
18天前
已完结
Scalable emulation of protein equilibrium ensembles with generative deep learning
23天前
已完结
Estimation of Conformational Entropy in Protein–Ligand Interactions: A Computational Perspective
2个月前
已完结
MoGE: A Benchmark for Comprehensive Evaluation of Molecular Generation Models in De Novo Drug Design
3个月前
已完结
Multi-modal molecule structure–text model for text-based retrieval and editing
3个月前
已完结
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