levakrasnov/BigSolDBv2.1
BigSolDB v2.1 BigSolDB v2.1 contains 112,465 experimentally measured solubility values of 1,525 organic compounds in 218 solvents, reported in 1,687 peer-reviewed literature sources. The dataset is designed for data-driven solubility modeling, benchmarking, and solvent selection tasks. 📊 Dataset Structure The dataset consists of 12 columns, defined as follows: SMILES_Solute — SMILES representation of the solute molecule Temperature_K — temperature of the… See the full description on the dataset page: https://huggingface.co/datasets/levakrasnov/BigSolDBv2.1.
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