This component connects to the first outport of the UniChem Molecule Search to select molecule "variants" retrieved from UniChem. Selection is based on features and relationships of the retrieved compounds in relation to the query molecule (e.g., stereochemistry, charge, isotopic composition). The selection process can be performed using the Interactive View.
The first output provides the most important information, while the second output contains all the details related to the matching process. A sunburst chart displaying the source and source type of the selected molecules is available in both the Interactive View and the third outport.
Note: Only the most relevant UniChem data sources are processed and output. The following is a list of the handled sources:
- drugbank
- clinicaltrials
- fdasrs
- drugcentral
- dailymed
- pharmgkb
- nih_ncc
- chembl
- pubchem
- bindingdb
- swisslipids
- brenda
- probes_and_drugs
- lincs
- gtopdb
- surechembl
- molport
- zinc
- mcule
- emolecules
- MedChemExpress
- selleck
- chemicalbook
- pdb
- comptox
- actor
- hmdb
- lipidmaps
- metabolights
- recon
- atlas
- nmrshiftdb2
The first output provides the most important information, while the second output contains all the details related to the matching process. A sunburst chart displaying the source and source type of the selected molecules is available in both the Interactive View and the third outport.
Note: Only the most relevant UniChem data sources are processed and output. The following is a list of the handled sources:
- drugbank
- clinicaltrials
- fdasrs
- drugcentral
- dailymed
- pharmgkb
- nih_ncc
- chembl
- pubchem
- bindingdb
- swisslipids
- brenda
- probes_and_drugs
- lincs
- gtopdb
- surechembl
- molport
- zinc
- mcule
- emolecules
- MedChemExpress
- selleck
- chemicalbook
- pdb
- comptox
- actor
- hmdb
- lipidmaps
- metabolights
- recon
- atlas
- nmrshiftdb2