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A Molecular Fragment Representation Learning Framework for Drug–Drug Interaction Prediction
21小时前
已完结
ChiGNN: Interpretable Algorithm Framework of Molecular Chiral Knowledge-Embedding and Stereosensitive Property Prediction
4天前
已完结
Intermolecular 3D-MoRSE Descriptors for Fast and Accurate Prediction of Electronic Couplings in Organic Semiconductors
6天前
已完结
Recent progress in general force fields of small molecules
6天前
已完结
Improved GNNs for Log D7.4 Prediction by Transferring Knowledge from Low-Fidelity Data
6天前
已完结
MOLGAECL: Molecular Graph Contrastive Learning via Graph Auto-Encoder Pretraining and Fine-Tuning Based on Drug–Drug Interaction Prediction
11天前
已完结
Fluor-Predictor: An Interpretable Tool for Multiproperty Prediction and Retrieval of Fluorescent Dyes
11天前
已完结
QUANTUM CHEMICAL CALCULATIONS IN INDUSTRIAL LIQUID CRYSTAL RESEARCH
12天前
已完结
BB-SAR: An Application for Data-driven Analysis and Rational Design of Medicinal Chemistry Series
19天前
已完结
HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention
20天前
已完结
Oxford Handbook of Rheumatology (4 ed.)
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