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1240 积分 2023-11-14 加入
Explainable Solvation Free Energy Prediction Combining Graph Neural Networks with Chemical Intuition
7天前
已完结
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning
7天前
已完结
Synthesis of active pharmaceutical ingredients using electrochemical methods: keys to improve sustainability
9天前
已完结
Challenges and opportunities on sustainable electrochemical transformations: application towards the synthesis of pharmaceuticals, and precursors of drug like molecules
9天前
已完结
Monocular depth estimation for vision-based vehicles based on a self-supervised learning method
11天前
已完结
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning
16天前
已完结
Machine learning with physicochemical relationships: solubility prediction in organic solvents and water
16天前
已关闭
SolvBERT for solvation free energy and solubility prediction: a demonstration of an NLP model for predicting the properties of molecular complexes
16天前
已完结
Predicting solvation free energies with an implicit solvent machine learning potential
25天前
已完结
Graphical Gaussian process regression model for aqueous solvation free energy prediction of organic molecules in redox flow batteries
1个月前
已完结
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