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Schrödinger
Cheminformatics
Filters and Mining Tools

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.

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