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Statements

Subject Item
n2:RIV%2F00216208%3A11320%2F14%3A10281840%21RIV15-GA0-11320___
rdf:type
skos:Concept n7:Vysledek
rdfs:seeAlso
https://www.assembla.com/spaces/molpher/wiki
dcterms: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 virtual chemical library focused on a mechanistic class of compounds given by the characteristics of the source/target pair. 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 virtual chemical library focused on a mechanistic class of compounds given by the characteristics of the source/target pair.
dcterms:title
Molpher Molpher
skos:prefLabel
Molpher Molpher
skos:notation
RIV/00216208:11320/14:10281840!RIV15-GA0-11320___
n3:aktivita
n19:P
n3:aktivity
P(GP14-29032P)
n3:dodaniDat
n15:2015
n3:domaciTvurceVysledku
n4:9268421 n4:9318585
n3:druhVysledku
n18:R
n3:duvernostUdaju
n11:S
n3:ekonomickeParametry
Free academic software
n3:entitaPredkladatele
n8:predkladatel
n3:idSjednocenehoVysledku
30330
n3:idVysledku
RIV/00216208:11320/14:10281840
n3:interniIdentifikace
molpher-1.0
n3:jazykVysledku
n14:eng
n3:klicovaSlova
drug discovery; chemical space exploration; cheminformatics
n3:klicoveSlovo
n12:chemical%20space%20exploration n12:cheminformatics n12:drug%20discovery
n3:kontrolniKodProRIV
[3911C2A72C72]
n3:obor
n6:IN
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
2
n3:projekt
n17:GP14-29032P
n3:rokUplatneniVysledku
n15:2014
n3:technickeParametry
stand-alone klient-server aplikace
n3:tvurceVysledku
Škoda, Petr Hoksza, David
n3:vlastnik
n8:vlastnikVysledku
n3:vyuzitiJinymSubjektem
n9:N
n13:organizacniJednotka
11320