ChEMBL Related Tools

This section provides a quick summary of tools related to ChEMBL database.

Here is a list of ChEMBL related tools found on the Internet:

https://github.com/chembl/chembl_webresource_client: Official Python client for accessing ChEMBL API with some nice functionalities:

ChEMBL Web service tools:
  Search molecules, targets, etc.
  Find similar compounds and perform substructure search
  Get compound properties and images
  Find approved drugs filtered by keyword like LUNG CARCINOMA
  Search activities
  ...

Standalone tools:
  Display images of local compound files
  Convert image to SMILES
  Compute fingerprints of compounds
  Compute Maximal Common Substructure
  Compute various molecular properties

https://github.com/mgalardini/chembl_tools - Some Python utility scripts based on chembl_webresource_client:

get_chembl_ids
get_similar_molecules
get_target_ids
molecule2details.py
protein2activity.py
protein2mechanism.py
uniprot2chembl.py

Table of Contents

 About This Book

 Introduction of Molecules

 Molecule Names and Identifications

 Molecule Mass and Weight

 Protein and Amino Acid

 Nucleobase, Nucleoside, Nucleotide, DNA and RNA

 Gene and Chromosome

 Protein Kinase (PK)

 DNA Sequencing

 Gene Mutation

 SDF (Structure Data File)

 PyMol Installation

 PyMol GUI and CLI

 PyMol Selections

 PyMol Editing Functions

 PyMol Measurement Functions

 PyMol Movie Functions

 PyMol Python Integration

 PyMol Object Functions

ChEMBL Database - European Molecular Biology Laboratory

 What Is ChEMBL

 ChEMBL Speical Web Portals

 Download ChEMBL Database

 ChEMBL FTP Repository

 ChEMBL Web Services API

 Call ChEMBL Data Web Service Directly

 ChEMBL Data Resource - molecule

 ChEMBL Data Resource - activity

 ChEMBL Data Resource - assay

 ChEMBL Data Resource - document

 ChEMBL Data Resource - target

 ChEMBL Data Resource - chembl_id_lookup

ChEMBL Related Tools

 chembl_webresource_client - Python Client

 chembl_webresource_client - Usage Examples

 chembl_webresource_client - RetryError Exception

 ChEMBL Terminologies

 PubChem Database - National Library of Medicine

 PDB (Protein Data Bank)

 INSDC (International Nucleotide Sequence Database Collaboration)

 HGNC (HUGO Gene Nomenclature Committee)

 Relocated Tutorials

 Resources and Tools

 Molecule Related Terminologies

 References

 Full Version in PDF/EPUB