Filters and Mining Tools

This category contains 4 nodes.

Maximum Common Substructure Search 

Finds maximum common substructure among a given set of molecules.

REOS Filter 

Filter a list of target molecules against REOS rules

Structure Filter 

Filter a list of target molecules against user-defined SMILES/SMARTS expressions.

Substructure Search 

Search a list of target molecules against a set of queries, composed of either molecules or partial structures.