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84 积分 2024-09-20 加入
Highly Precise Prediction of Micro‐ and Supra‐p K a Based on 3D Descriptors Integrating Non‐Covalent Interactions
3天前
已完结
Holistic Prediction of the pKa in Diverse Solvents Based on a Machine‐Learning Approach
3天前
已完结
The significance of acid/base properties in drug discovery
4天前
已完结
A systematic review of various pKa determination techniques
5天前
已完结
Sample-efficient generative molecular design using memory manipulation
11天前
已完结
Copper-catalyzed propargylic substitution for the highly selective construction of multi-substituted 1,4-enynes
18天前
已完结
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR
2个月前
已完结
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
2个月前
已完结
Learned Conformational Space and Pharmacophore Into Molecular Foundational Model
3个月前
已完结
Scaffold-Constrained Molecular Generation
3个月前
已完结
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