/tools/ChEMBL_Structure_Pipeline

ChEMBL_Structure_Pipeline

chembl/ChEMBL_Structure_Pipeline

229 stars41 forksPythonAdded February 5, 2026
summary

The ChEMBL Structure Pipeline provides protocols for standardizing and salt stripping molecules, facilitating the preparation of chemical structures for further analysis. It includes functionalities for checking the quality of molecular structures and retrieving parent compounds, making it a valuable tool in molecular data processing.

description

ChEMBL database structure pipelines

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