{"library":"chembl-structure-pipeline","type":"library","category":null,"description":"A Python toolkit for standardizing and processing chemical structures in the ChEMBL database. Current version 1.2.4. It applies curation rules (e.g., standardization, salt stripping, charge neutralization) commonly used in ChEMBL. Release cadence is irregular, typically a few updates per year.","language":"python","status":"active","version":"1.2.4","tags":["cheminformatics","standardization","ChEMBL","RDKit","molblock","salt stripping"],"last_verified":"Fri May 01","install":[{"cmd":"pip install chembl-structure-pipeline","imports":["from chembl_structure_pipeline import ChEMBLStructurePipeline","from chembl_structure_pipeline import standardize_molblock","from chembl_structure_pipeline import get_parent_molblock"]},{"cmd":"pip install chembl-structure-pipeline[rdkit]","imports":[]}],"homepage":"https://www.ebi.ac.uk/chembl/","github":null,"docs":null,"changelog":null,"pypi":"https://pypi.org/project/chembl-structure-pipeline/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":null}