Timeline for Unique notation to search for compounds in PubChem and in Chembl
Current License: CC BY-SA 4.0
5 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Nov 7, 2021 at 15:51 | vote | accept | mac179 | ||
| Nov 6, 2021 at 18:26 | comment | added | Buttonwood | @NotEvans. Depending on what you aim for, standard InChI/InChIKey (version 1.06, December 2020) may be good and efficient. They may lead to confusion, too. Because Amine Chadi stated a background different to the one of a «chemist by training», I sense potential (though not insurmountable) pitfalls using them and appended my answer. Version 1.06+ possibly growths and improves by feedback. | |
| Nov 5, 2021 at 19:35 | comment | added | NotEvans. | InChi keys are unique (with very limited exceptions). You could also pre-process your SMILES through some kind of standardisation code to get them all into the same format | |
| Nov 5, 2021 at 10:11 | answer | added | Buttonwood | timeline score: 2 | |
| Nov 5, 2021 at 7:28 | history | asked | mac179 | CC BY-SA 4.0 |