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Python2MIT100UpdatedJan 15, 2025 ChEMBL_Structure_PipelinePublic ChEMBL database structure pipelines Python202MIT3752UpdatedSep 3, 2024 People Top languages PythonJavaScriptJupyter NotebookPerlC Most used topics cheminformaticschemistrychemblchemoinformaticspython...
The ChEMBL version used in this paper is ChEMBL 13, which was released on 29 February 2012. The SQL data dump provided by ChEMBL was inserted into a local MySQL database. A set of SQL queries were then executed to generate RDF triples using a set of PHP scripts. The scripts use SQL...
The ChEMBL version used in this paper is ChEMBL 13, which was released on 29 February 2012. The SQL data dump provided by ChEMBL was inserted into a local MySQL database. A set of SQL queries were then executed to generate RDF triples using a set of PHP scripts. The scripts use SQL...
For example, the activity concept in the triples merely follows the activity table in the database. As such, the concept of chembl:Activity is implied by the content of that table in the relational database. However, where the database content is well-defined, specific ontologies have been ...
The nearest neighbours to Anle138b have a Tanimoto similarity of 0.5 and 0.45 and are experimental drugs, represented in the ChEMBL database as CHEMBL1567097 and CHEMBL1370387, respectively. CHEMBL1567097 is very chemically similar to Anle138b, with the only difference being a change from ...
https://chembl.gitbook.io/chembl-interface-documentation/ 8 3 0 0 Updated Dec 11, 2024 ChEMBL_Structure_Pipeline Public ChEMBL database structure pipelines Python 198 MIT 37 5 2 Updated Sep 3, 2024 View all repositories People Top languages Loading…...