MMsINC: a large-scale chemoinformatics database

MMsINC (http://mms.dsfarm.unipd.it/MMsINC/search) is a database of non-redundant, richly annotated and biomedically relevant chemical structures. A primary goal of MMsINC is to guarantee the highest quality and the uniqueness of each entry. MMsINC then adds value to these entries by including the an...

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Bibliographic Details
Published in:Nucleic acids research 2009-01, Vol.37 (suppl-1), p.D284-D290
Main Authors: Masciocchi, Joel, Frau, Gianfranco, Fanton, Marco, Sturlese, Mattia, Floris, Matteo, Pireddu, Luca, Palla, Piergiorgio, Cedrati, Fabian, Rodriguez-Tomé, Patricia, Moro, Stefano
Format: Article
Language:English
Subjects:
Computational Biology
Databases, Factual
Ligands
Pharmaceutical Preparations - chemistry
Proteins - chemistry
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Description
Summary:MMsINC (http://mms.dsfarm.unipd.it/MMsINC/search) is a database of non-redundant, richly annotated and biomedically relevant chemical structures. A primary goal of MMsINC is to guarantee the highest quality and the uniqueness of each entry. MMsINC then adds value to these entries by including the analysis of crucial chemical properties, such as ionization and tautomerization processes, and the in silico prediction of 24 important molecular properties in the biochemical profile of each structure. MMsINC is consequently a natural input for different chemoinformatics and virtual screening applications. In addition, MMsINC supports various types of queries, including substructure queries and the novel 'molecular scissoring' query. MMsINC is interfaced with other primary data collectors, such as PubChem, Protein Data Bank (PDB), the Food and Drug Administration database of approved drugs and ZINC.
ISSN:0305-1048
1362-4962
DOI:10.1093/nar/gkn727