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2480 积分 2024-08-14 加入
Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications
26天前
已完结
Fragment-Aware Contrastive Learning Framework for Molecular Property Prediction
1个月前
已完结
ADMET-X: Machine Learning Framework for Predicting Pharmacokinetic and Toxicological Drug Properties
1个月前
已完结
Prediction of intrinsic clearance using an explainable learning framework integrating molecular fingerprints and graph representation
1个月前
已完结
Improving the Stability and Transferability of Effective ADMET Models by Adding Quantum Mechanical Descriptors
1个月前
已完结
NCPepFold: Accurate Prediction of Noncanonical Cyclic Peptide Structures via Cyclization Optimization with Multigranular Representation
11个月前
已完结
Accurate prediction of protein structures and interactions using a three-track neural network
11个月前
已完结
Diffusion model expands RoseTTAFold’s power
11个月前
已完结
De Novo Design of Cyclic Peptide Binders Based on Fragment Docking and Assembling
11个月前
已完结
Quantifying the chemical beauty of drugs
1年前
已完结
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