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The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F14%3A10281840" target="_blank" >RIV/00216208:11320/14:10281840 - isvavai.cz</a>

  • Result on the web

    <a href="https://www.assembla.com/spaces/molpher/wiki" target="_blank" >https://www.assembla.com/spaces/molpher/wiki</a>

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Molpher

  • Original language description

    Molpher aims to be a scalable interactive software framework to aid the exploration of the chemical space. Given a source/target molecular pair, Molpher explores their structural neighbourhood via a process called molecular morphing. Molecular morphing generates a path in the chemical space by an iterative application of morphing operators that represent simple structural changes (such as, e.g., add or remove atom). This path consting of molecules called morphs and its surroundings constitutes a virtualchemical library focused on a mechanistic class of compounds given by the characteristics of the source/target pair.

  • Czech name

  • Czech description

Classification

  • Type

    R - Software

  • CEP classification

    IN - Informatics

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GP14-29032P" target="_blank" >GP14-29032P: Efficient chemical space exploration using multi-objective optimization</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2014

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Internal product ID

    molpher-1.0

  • Technical parameters

    stand-alone klient-server aplikace

  • Economical parameters

    Free academic software

  • Owner IČO

    00216208

  • Owner name

    Univerzita Karlova v Praze