ConQuest
Advanced 3D Searching of Structures in the Cambridge Structural Database
Providing easy and convenient access to the wealth of structural knowledge contained in the CSD, ConQuest allows users to carry out more advanced searches than WebCSD including context and criteria matching. Search results can be seamlessly analysed by the powerful algorithms provided by the CCDC suite of software tools.
ConQuest gives big-data insights with multiple search options by substructure, reference, unit cell, and text terms including known polymorphs and subsets.
Features
Integrated with powerful informatics tools
Take search results straight into the CCDC suite of software tools that use powerful algorithms for further analysis.
Chemical substructure search
Search from a 2D molecular sketch including chemical constraints such as charge, hybridization state, and cyclicity.
3D geometric searching
Quickly analyse molecular dimensions and determine conformational preferences.
Intermolecular contact searching
Explore interactions of all types and to locate pharmacophoric patterns.
Wide range of text and numeric database search options
Locate structures based on compound name, formula, elemental composition, literature reference and experimental details.
Link to proprietary data
Include your proprietary data so you get the complete picture of your system of interest.
Included in
Fields
Use Cases
Learn more
See our complete list of up-to-date technical FAQs in our knowledgebase at the link above.
FAQs
Queries of name, formula and more can be combined if necessary to narrow results. For proprietary databases you can apply your naming conventions too.
Yes you can point ConQuest to proprietary data. Once set up advanced search options are available.
Results from ConQuest can be saved in cif, SHELX, MDL sd file, SMILES and more.