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Nucleic Acids Res. 2009 Jan;37(Database issue):D284-90. doi: 10.1093/nar/gkn727. Epub 2008 Oct 17.

MMsINC: a large-scale chemoinformatics database.

Author information

1
CRS4 - Bioinformatics Laboratory, Parco Sardegna Ricerche, Pula (CA) 09010, Italy.

Abstract

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.

PMID:
18931373
PMCID:
PMC2686567
DOI:
10.1093/nar/gkn727
[Indexed for MEDLINE]
Free PMC Article

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