Enable registration and searching of chemical structures and reactions in Oracle databases with the industry-standard chemistry data cartridge.
Symyx Direct combines structure and reaction management in a single chemistry cartridge. This includes proprietary fastsearch technology for structures and reactions, giving the system unparalleled scalability and extensibility.
Symyx Direct is database-tested and proven against a 27 million structure database and with a reaction database of over 17 million reactions.
Symyx Direct supports:
Premiere chemistry searching
- 2D and 3D exact and substructure searches
- Markush structure storage and searching
- Tautomer, isomer, salt searches, similarity searches
- Molecular weight, formula, Rgroup, Sgroup, polymer and mixture queries
- Search structures and reactions
- Enhanced stereochemistry – absolute, relative, and racemic stereogenic centers
- Non-tetrahedral stereochemistry support for allenes and biphenyls
- Storage and retrieval of sequences – peptides, oligonucleotides, and oligosaccharides
- SDfiles and RDfiles
- Canonical SMILES strings
- Chime strings, molfiles, and rxnfiles
- InChI names and keys
- NEMA key
- Monoisotopic, and isotopically enriched formula masses
- UniProt for sequences
Enhanced Stereochemistry
Enhanced Stereochemistry overcomes restrictions in the previous representations and better meets the challenges and requirements of representing stereochemically relevant structures.
Phased Migration
Existing ISIS/Host customers and those with earlier versions of Symyx Direct easily migrate to the new environment at their own pace in a step-wise, straightforward manner. Migration tools to convert existing ISIS server-based databases are provided with the latest version of Symyx Direct. Registration forwarding between Symyx Direct databases and ISIS/Host databases assists in the transition from ISIS-based applications to the latest Symyx Direct applications. Proprietary ISIS/Host reaction databases may be migrated. Symyx commercial databases are available in the Symyx Direct 6.0 format.
Access Direct functionality in KNIME workflows
The Symyx Chemistry Extensions for KNIME are available together with a range of nodes for structure searching, chemical transformations and calculations.