DLS-100 (Drug-Like Solubility - 100 compounds) dataset

DLS-100 (Drug-Like Solubility - 100 compounds) dataset

100 Molecules with measured and reported intrinsic aqueous solubilities, together with a suggested 75-25 training-test split. <br><p></p>

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Bibliographic Details
Main Author: John Mitchell (4539997) (author)
Other Authors: James McDonagh (3761284) (author), Samuel Boobier (4540012) (author)
Published: 2025
Subjects:
Solid state chemistry
Cheminformatics and quantitative structure-activity relationships
Physical organic chemistry
Solution chemistry
Aqueous Solubility Intrinsic
Solution Chemistry
Solid State Chemistry
Physical Organic Chemistry
Cheminformatics
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