pyCheckmol: application for detecting functional groups of a molecule, created using features from the compiled checkmol
Structural Alerts
adme-pred-py:
ChemFH: predicts potential frequent hitters across various parameters.
medchem: Python library that proposes molecular filters and prioritization rules for a wide range of use cases relevant in drug discovery.
pySmash: Python package and software for structural alerts generation and application
rd_filters: provides a simple means of applying the functional group filters from the ChEMBL database, as well as a number of property filters from the RDKit, to a set of compounds.
Aggregators
BADGER: Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter
