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648 积分 2023-10-31 加入
ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents
1小时前
已完结
Computing Kinetic Solvent Effects and Liquid Phase Rate Constants Using Quantum Chemistry and COSMO-RS Methods
2小时前
已关闭
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?
12天前
已完结
Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion Predictions
19天前
已完结