CSD-CrossMiner

E474959

CSD-CrossMiner is a software tool from the Cambridge Crystallographic Data Centre for mining and analyzing structural patterns across crystallographic and molecular databases.

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CSD-CrossMiner canonical 1

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Predicate Object
instanceOf cheminformatics software
software tool
abbreviationOf Cambridge Structural Database CrossMiner NERFINISHED
associatedWith CSD-Enterprise NERFINISHED
CSD-Materials NERFINISHED
CSD-System NERFINISHED
developer Cambridge Crystallographic Data Centre NERFINISHED
distribution part of the CSD software portfolio
domain cheminformatics
computational chemistry
crystallography
structural chemistry
feature 3D pharmacophore-style queries
export of query definitions
filtering of search results
geometric constraints on intermolecular interactions
integration with CSD software suite
interactive visual query definition
pattern mining across multiple databases
substructure search
support for multiple chemical environments
support for pharmacophore features such as aromatic rings
support for pharmacophore features such as hydrogen-bond acceptors
support for pharmacophore features such as hydrogen-bond donors
support for pharmacophore features such as hydrophobic groups
visualization of query hits
inputType 3D structural data
crystallographic information files
licenseType proprietary software
operatesOn Cambridge Structural Database NERFINISHED
crystallographic databases
molecular databases
protein–ligand structural data
organization Cambridge Crystallographic Data Centre NERFINISHED
outputType lists of matching structural motifs
visualized 3D alignments of hits
platform desktop application
purpose analyzing 3D structural patterns
mining structural patterns in crystallographic databases
mining structural patterns in molecular databases
supporting crystal engineering
supporting medicinal chemistry
supporting structure-based drug design
usedFor hypothesis generation in medicinal chemistry
identifying recurrent interaction motifs
knowledge-based design of co-crystals
knowledge-based design of ligands
rationalizing binding modes
studying protein–ligand interaction patterns
studying small-molecule crystal packing

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