Pinned

1. chembl_grounder chembl_grounder Public

   Grounding of a DailyMed ingredient (with a UNII and a name) to ChEMBL using G-SRS to fetch names and structures for a UNII. These are matched to ChEMBL using query indexes.

   Python

2. chembl_ident chembl_ident Public

   ChEMBL identifier object that combines ChEMBL ID, MolRegNo and Drugbase ID. Useful because no single identifier covers all compounds in ChEMBL and Drugbase. Accessory functions are packaged to fill…

   Python

3. inchicompare inchicompare Public

   A few functions for splitting, normalising and comparing InChi strings. Detects exact matches by InChi layer which is useful for detecting ions and stereoisomers. Can split a mixture InChi into sin…

   Python

4. indications_curation indications_curation Public

   Python

5. ontology_index ontology_index Public

   Allows parsing and saving of EFO and MeSH ontologies to BSDDB, and SPARQL querying using `rdflib`. For finding related entities within the ontologies (either by measuring distance between multiple …

   Python

6. text_query text_query Public

   A few functions for parsing XML, creating varients of sentences and querying them with an index.

   Python