Molecule Tutorials - Herong's Tutorial Examples - v1.26, by Herong Yang
ChEMBL Web Services API
Provides a tutorial example on how to use the ChEMBL Web service API to retrieve data and perform utility tasks.
ChEMBL Web services are divided into two groups:
1. ChEMBL Data - Web services to retrieve data from ChEMBL server.
https://www.ebi.ac.uk/chembl/api /data/activity/ /data/assay/ /data/atc_class/ /data/binding_site/ /data/biotherapeutic/ /data/cell_line/ /data/chembl_id_lookup/ /data/compound_record/ /data/compound_structural_alert/ /data/document/ /data/document_similarity/ /data/drug/ /data/go_slim/ /data/image/:ID /data/mechanism/ /data/metabolism/ /data/molecule/ /data/organism/ /data/protein_class/ /data/similarity/:smiles/:similarity /data/source/ /data/status/ /data/substructure/:ID /data/target/ /data/target_component/ /data/target_relation/ /data/tissue/ /data/xref_source/
2. Cheminformatic Utils (aka 'ChEMBL Beaker') - Web services to perform utility tasks.
https://www.ebi.ac.uk/chembl/api/utils status canonicalizeSmiles check chemblDescriptors cipStereoInfo clean ctab22D ctab2inchi ctab2inchiKey ctab2smarts ctab2smiles ctab2svg descriptors exclude getParent highlightCtabFragmentSvg highlightSmilesFragmentSvg hydrogenize image2ctab image2smiles inchi2ctab inchi2inchiKey inchi2svg is3D mcs molExport reactionConverter reactionExport sdf2SimilarityMapSvg smarts2ctab smiles22D smiles2SimilarityMapSvg smiles2ctab smiles2inchi smiles2inchiKey smiles2svg standardize structuralAlerts
There are 3 ways to use ChEMBL Web services:
For more information, go to ChEMBL Web Services Website at https://chembl.gitbook.io/chembl-interface-documentation/web-services.
Table of Contents
Molecule Names and Identifications
Nucleobase, Nucleoside, Nucleotide, DNA and RNA
►ChEMBL Database - European Molecular Biology Laboratory
Call ChEMBL Data Web Service Directly
ChEMBL Data Resource - molecule
ChEMBL Data Resource - activity
ChEMBL Data Resource - document
ChEMBL Data Resource - chembl_id_lookup
chembl_webresource_client - Python Client
chembl_webresource_client - Usage Examples
chembl_webresource_client - RetryError Exception
PubChem Database - National Library of Medicine
INSDC (International Nucleotide Sequence Database Collaboration)
HGNC (HUGO Gene Nomenclature Committee)