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480 积分 2025-10-26 加入
Extended atom-based and bond-based group contribution descriptor and its application to melting point prediction of energetic compounds
13小时前
待确认
Discovering melting temperature prediction models of inorganic solids by combining supervised and unsupervised learning
13小时前
待确认
Predicting the Melting Point of Energetic Molecules Using a Learnable Graph Neural Fingerprint Model
13小时前
待确认
Deciphering melting behaviors of energetic compounds using interpretable Machine learning for melt-castable applications
13小时前
待确认
High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials
13小时前
已完结
An integrated ML model for the prediction of the melting points, phase diagrams, and eutectic points of the Type III and V deep eutectic solvents
13小时前
待确认
Generative discovery of de novo chemical designs using diffusion modeling and transformer deep neural networks with application to deep eutectic solvents
3天前
已完结
Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset
3天前
已完结
ChemBERTa Embeddings and Ensemble Learning for Prediction of Density and Melting Point of Deep Eutectic Solvents with Hybrid Features
7天前
已完结
eutXG: A Machine-Learning Model to Understand and Predict the Melting Point of Novel X-Bonded Deep Eutectic Solvents
7天前
已完结
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