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Interpretable machine learning for solvent prediction and mechanistic insights in multi-component crystal screening
21小时前
待确认
MIDF-DMAP: Multimodal information dynamic fusion for drug molecule activity prediction
2天前
已完结
Accelerating Structure Prediction of Molecular Crystals using Actively Trained Moment Tensor Potential
1个月前
已完结
Designed with interactome-based deep learning
2个月前
已完结
Deep eutectic solvents: Quantum chemical investigation, thermal stability and physicochemical properties
2个月前
已完结
Efficient crystal structure prediction based on the symmetry principle
3个月前
已完结
Symmetry-oriented enumeration method for molecular crystal structure prediction and its application
3个月前
已完结
Organic solvates in the Cambridge Structural Database
3个月前
已完结
Organic solvates in the Cambridge Structural Database
3个月前
已完结
Efficient cocrystal coformer screening based on a Machine learning Strategy: A case study for the preparation of imatinib cocrystal with enhanced physicochemical properties
4个月前
已完结
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