Lv47
750 积分 2025-09-30 加入
Molecular Representation Matters: Comparative Evaluation of Fingerprints, RDKit Descriptors, and Hashing Effects
19小时前
已关闭
Machine learning with quantum chemistry descriptors: predicting the solubility of small-molecule optoelectronic materials for organic solar cells
19小时前
已完结
Graph neural networks
19小时前
已完结
Multi-modal feature fusion graph neural networks for intelligent classification of pharmaceutical solid forms: Cocrystals, salts, and physical mixtures
20小时前
已完结
Accelerating the discovery and optimization of metal-organic framework materials via machine learning
2天前
已完结
Machine Learning, Generalization, and Transfer Learning for Predicting the Exceedance of Fecal Indicator Bacteria Thresholds at Beaches
2天前
已完结
Precursor Symmetry Triggered Modulation of Fluorescence Quantum Yield in Graphene Quantum Dots
2天前
已完结
A review of molecular representation in the age of machine learning
3天前
已完结
Graph neural networks for conditional de novo drug design
3天前
已完结
t-SMILES: a fragment-based molecular representation framework for de novo ligand design
3天前
已完结
皖公网安备34019202002308
