Molpher specifications

Information


Unique identifier OMICS_25730
Name Molpher
Software type Application/Script
Interface Command line interface, Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Windows
Programming languages C++
License GNU General Public License version 3.0
Computer skills Advanced
Version 1.01.00
Stability Stable
Maintained Yes

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Versioning


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Documentation


Maintainers


  • person_outline David Hoksza
  • person_outline Daniel Svozil

Publication for Molpher

Molpher citation

library_books

Prediction driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

2014
J Cheminform
PMCID: 4272757
PMID: 25544551
DOI: 10.1186/s13321-014-0048-0

[…] fragments that tend to induce a particular activity (CYP inhibition, aquatic toxicity or mutagenicity).The detected MMP transformations can be also exported and used in external applications, such as Molpher [], to optimize new chemical structures. They can be also used as a part of discovery tools, such as the Self Organizing Hypothesis Network (SOHN) [], by enhancing the tool with clearly interp […]

Molpher institution(s)
Laboratory of Informatics and Chemistry, Faculty of Chemical Technology, Institute of Chemical Technology Prague, Prague, Czech Republic; SIRET Research Group, Department of Software Engineering, Faculty of Mathematics and Physics, Charles University in Prague, Prague, Czech Republic; Institute of Molecular Genetics, Academy of Sciences of the Czech Republic, Prague, Czech Republic
Molpher funding source(s)
Supported by the Technology Agency of the Czech Republic, grant TA02010212, by the Czech Science Foundation grants P202/ 11/0968 and 14-29032P, and by the Grant Agency of Charles University [project Nr. 154613].

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