COSMOS statistics

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Citations per year

Number of citations per year for the bioinformatics software tool COSMOS

Tool usage distribution map

This map represents all the scientific publications referring to COSMOS per scientific context
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Associated diseases


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COSMOS specifications


Unique identifier OMICS_13641
Alternative name COordinates of Small MOleculeS
Interface Web user interface
Restrictions to use Academic or non-commercial use
Input data Molecule structure data
Input format SMILES, SDF, PDB, MOL2, MDL
Output data Predicted 3D structures
Output format SDF, PDB, MOL2, MDL
Programming languages Python
Computer skills Basic
Stability Stable
Maintained Yes


  • person_outline Pierre Baldi

Publication for COordinates of Small MOleculeS

COSMOS citation


Footprinting of Inhibitor Interactions of In Silico Identified Inhibitors of Trypanothione Reductase of Leishmania Parasite

Sci World J
PMCID: 3322522
PMID: 22550471
DOI: 10.1100/2012/963658

[…] webpage also provides details of compounds like molecular weight and so forth; 2D SDF data set of the compounds available online was downloaded and used for generation of three dimensional structure coordinates of small molecules using ChemDraw 3D ultra 8.0 software (Molecular Modelling and analysis; Cambridge soft Corporation, USA (2003)). […]

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COSMOS institution(s)
Institute for Genomics and Bioinformatics, University of California Irvine, Irvine, CA, USA

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