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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2025
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| _version_ | 1852017536413990912 |
|---|---|
| author | John Mitchell (4539997) |
| author2 | James McDonagh (3761284) Samuel Boobier (4540012) |
| author2_role | author author |
| author_facet | John Mitchell (4539997) James McDonagh (3761284) Samuel Boobier (4540012) |
| author_role | author |
| dc.creator.none.fl_str_mv | John Mitchell (4539997) James McDonagh (3761284) Samuel Boobier (4540012) |
| dc.date.none.fl_str_mv | 2025-08-18T15:54:06Z |
| dc.identifier.none.fl_str_mv | 10.6084/m9.figshare.5545639.v3 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/dataset/DLS-100_Solubility_Dataset/5545639 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | 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 |
| dc.title.none.fl_str_mv | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| dc.type.none.fl_str_mv | Dataset info:eu-repo/semantics/publishedVersion dataset |
| description | 100 Molecules with measured and reported intrinsic aqueous solubilities, together with a suggested 75-25 training-test split. <br><p></p> |
| eu_rights_str_mv | openAccess |
| id | Manara_e0708ae3e24ca357331d64fa2d1d1841 |
| identifier_str_mv | 10.6084/m9.figshare.5545639.v3 |
| network_acronym_str | Manara |
| network_name_str | ManaraRepo |
| oai_identifier_str | oai:figshare.com:article/5545639 |
| publishDate | 2025 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | DLS-100 (Drug-Like Solubility - 100 compounds) datasetJohn Mitchell (4539997)James McDonagh (3761284)Samuel Boobier (4540012)Solid state chemistryCheminformatics and quantitative structure-activity relationshipsPhysical organic chemistrySolution chemistryAqueous Solubility IntrinsicSolution ChemistrySolid State ChemistryPhysical Organic ChemistryCheminformatics100 Molecules with measured and reported intrinsic aqueous solubilities, together with a suggested 75-25 training-test split. <br><p></p>2025-08-18T15:54:06ZDatasetinfo:eu-repo/semantics/publishedVersiondataset10.6084/m9.figshare.5545639.v3https://figshare.com/articles/dataset/DLS-100_Solubility_Dataset/5545639CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/55456392025-08-18T15:54:06Z |
| spellingShingle | DLS-100 (Drug-Like Solubility - 100 compounds) dataset John Mitchell (4539997) 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 |
| status_str | publishedVersion |
| title | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| title_full | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| title_fullStr | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| title_full_unstemmed | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| title_short | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| title_sort | DLS-100 (Drug-Like Solubility - 100 compounds) dataset |
| topic | 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 |