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Nucleic Acids Research Advance Access originally published online on October 17, 2008
Nucleic Acids Research 2009 37(Database issue):D284-D290; doi:10.1093/nar/gkn727
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Nucleic Acids Research, 2009, Vol. 37, Database issue D284-D290
© 2008 The Author(s)
This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

This article appears in the following Nucleic Acids Research issue: Database issue [View the issue table of contents]

Articles

MMsINC: a large-scale chemoinformatics database

Joel Masciocchi1, Gianfranco Frau1, Marco Fanton2, Mattia Sturlese2, Matteo Floris1, Luca Pireddu1, Piergiorgio Palla1, Fabian Cedrati2, Patricia Rodriguez-Tomé1 and Stefano Moro2,*

1CRS4 – Bioinformatics Laboratory, Parco Sardegna Ricerche, Pula (CA) 09010 and 2Molecular Modeling Section (MMS), Department of Pharmaceutical Sciences, University of Padova, PD 35131, Italy

*To whom correspondence should be addressed. Tel: +39 049 8275704; Fax: +39 049 8275366; Email: stefano.moro{at}unipd.it

Received August 11, 2008. Revised September 27, 2008. Accepted October 1, 2008.

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.

The authors wish it to be known that, in their opinion, the first two and last two authors should be regarded as joint First Authors.


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