MMsINC Database Search
Road Map and known issues
- Refine sustructure search: we still have some problems due probably to the fact that MACCS are generated starting from canonical SMILES
- We aim to develop a new set of structural keys reflecting the nature of our dataset
- Montly update of PDB ligands / MMSInc association; new Tanimoto calculation when we will introduce new MACCS
- Save query as XML
- link to others databases as KEGG, ChEBI, NMRShiftDB
- Export in multiple formats (CML, PDB, mmCIF, JME, multiple SDF)
- Users account management: history of user's searches
