About the database

IDSM is an attempt to integrate and index a large body of chemical information in easily accessible web interfaces and software packages.

This page serves as a landing point and a signpost for the published services.

Sachem GUI

Sachem is a high-performance chemical cartridge for fingerprint-guided substructure and similarity search.

Sachem GUI allows quick access to this functionality on our Sachem installation. Indexed databases include up-to-date versions of PubChem and ChEMBL.

SPARQL GUI

We provide an indexing service that allows FAIR-style search in chemical data published on other RDF and SPARQL resources.

This allows the users to easily construct queries that contain chemical substructure and similarity search terms combined with protein or bioassay data inquiries.

ChemWeb RDF service

We are developing own SPARQL engine to address the deficiencies in current SPARQL endpoint implementations.

ChemWeb RDF service currently makes all PubChem triplet data available through an interoperable semantic interface, using this engine. The service is experimental and under development, but has already been used for processing complicated queries.

Maintainers

  • Jakub Galgonek
  • Mirek Kratochv√≠l

IDSM Service