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.

All labels observed (2)

Label Occurrences
CSD-CrossMiner canonical 3
CSD CrossMiner 1

How this entity was disambiguated

Statements (50)

Predicate Object
instanceOf cheminformatics software ⓘ
software tool ⓘ
abbreviationOf Cambridge Structural Database CrossMiner ⓘ
associatedWith CSD-Enterprise ⓘ
CSD-Materials ⓘ
linked to: CSD Materials

CSD-System ⓘ
linked to: CSD System
developer Cambridge Crystallographic Data Centre ⓘ
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 ⓘ
crystallographic databases ⓘ
molecular databases ⓘ
protein–ligand structural data ⓘ
organization Cambridge Crystallographic Data Centre ⓘ
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 ⓘ

How these facts were elicited

Referenced by (4)

Full triples — surface form annotated when it differs from this entity's canonical label.

CSD → associatedSoftware → CSD-CrossMiner ⓘ
CSD System → includesComponent → CSD CrossMiner ⓘ
linked to: CSD-CrossMiner
CSD-Enterprise → hasPart → CSD-CrossMiner ⓘ