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40 积分 2022-10-24 加入
DeepStruc: towards structure solution from pair distribution function data using deep generative models
15天前
已完结
Prediction of the Blood-Brain Barrier (BBB) Permeability of Chemicals Based on Machine-Learning and Ensemble Methods
16天前
已完结
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction
16天前
已完结
InChI - the worldwide chemical structure identifier standard
22天前
已完结
Rotors tailoring molecular stacking for constructing multi-stimuli-responsive luminescent materials
30天前
已完结
KnoMol: A Knowledge-Enhanced Graph Transformer for Molecular Property Prediction
1个月前
已完结
Enhancing Molecular Property Prediction through Task-Oriented Transfer Learning: Integrating Universal Structural Insights and Domain-Specific Knowledge
1个月前
已完结
SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction
1个月前
已完结
Dynamics of proton, ion, molecule, and crystal lattice in functional molecular assemblies
1个月前
已完结
On the Art of Compiling and Using 'Drug‐Like' Chemical Fragment Spaces
1个月前
已完结
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