Chemcentral Structure Search

CATEGORY

Structure search

SOURCE

RDKit

DESCRIPTION

Search our “house” databases using exact or substructure search

INPUTS

None

OUTPUTS

A Dataset of Molecules

OPTIONS

Query StructureSketch the query structure (double click to open the sketcher)
Table to searchSelect from the available tables of structures
Search ModeExact or SSS
LimitRestrict results to this many hits

ADDITIONAL INFO

Structure search is performed using the RDKit PostgreSQL cartridge.