Simple Method (CHEM-SP) to Predict Solubility from 2‑D Chemical Structures
收藏Figshare2020-12-24 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Simple_Method_CHEM-SP_to_Predict_Solubility_from_2_D_Chemical_Structures/13488250
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资源简介：
Computerized Human Expert Method for Solubility Prediction (CHEM-SP) is a simple method that can be used to predict solubility in water and organic solvents, from two-dimensional (2-D) chemical structures in conjunction with a reference solubility library. Compared to other solubility prediction models, it is very simple to execute and produces results that are equivalent or better.
创建时间：
2020-12-24
