ML Cp Prediction
Predict molar and specific heat capacity from an SDF file
Upload a single molecule in .sdf format, enter the temperature in °C, and
the application will compute molecular weight, molar heat capacity, and the converted specific heat capacity.
Input
Waiting for input
Source article
Yuqing Shan, Qingxing Wu, Hua Yuan, Wanqiang Liu, "Develop machine learning-based model and automated process for predicting liquid heat capacity of organics at different temperatures", Fluid Phase Equilibria, Volume 584, 2024, 114132.
Output
Ready to calculate
After uploading a file, the app reads the first valid molecule, computes MW and descriptors, and returns the prediction.