Programmatic Searching with PubChem - Ingenol Example

Versione 1.2 (704 KB) da Vincent Scalfani
PubChem reproducible searching use-case: perform a similarity search with Ingenol and compile a custom property dataset.
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Aggiornato 22 lug 2018

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This live script uses the PubChem API to perform a similarity search with Ingenol (2D Tanimoto threshold 97% to Ingenol CID 442042). The substance results are then compiled along with their associated properties.

Cita come

Vincent Scalfani (2024). Programmatic Searching with PubChem - Ingenol Example (https://www.mathworks.com/matlabcentral/fileexchange/68292-programmatic-searching-with-pubchem-ingenol-example), MATLAB Central File Exchange. Recuperato .

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Creato con R2018a
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Versione Pubblicato Note della release
1.2

updated summary.
1.1

added description
1.0.0