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Statements

Subject Item
n2:RIV%2F00064165%3A_____%2F10%3A7149%21RIV11-MZ0-00064165
rdf:type
skos:Concept n12:Vysledek
dcterms:description
The present is aimed to estimate SMILES-based optimal descriptors in role of the predictors of octanol/water partition coefficient (logP) of antineoplastic agents. By the correlation balance of Smiles-based optimal descriptors quite satisfactory models for the octanol/water partition coefficient have been obtained on all three splits. The present is aimed to estimate SMILES-based optimal descriptors in role of the predictors of octanol/water partition coefficient (logP) of antineoplastic agents. By the correlation balance of Smiles-based optimal descriptors quite satisfactory models for the octanol/water partition coefficient have been obtained on all three splits.
dcterms:title
QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations
skos:prefLabel
QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations
skos:notation
RIV/00064165:_____/10:7149!RIV11-MZ0-00064165
n3:aktivita
n14:V
n3:aktivity
V
n3:cisloPeriodika
4
n3:dodaniDat
n4:2011
n3:domaciTvurceVysledku
n15:3867307
n3:druhVysledku
n11:J
n3:duvernostUdaju
n13:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
283561
n3:idVysledku
RIV/00064165:_____/10:7149
n3:jazykVysledku
n8:eng
n3:klicovaSlova
QSPR; SMILES; antineoplastic agent; octanol/water partition coefficient; semiempirical topological index; optimal descriptors; molecular descriptors; smiles; qsar; toxicity; solubility; prediction; system
n3:klicoveSlovo
n9:QSPR n9:solubility n9:toxicity n9:qsar n9:SMILES n9:semiempirical%20topological%20index n9:octanol%2Fwater%20partition%20coefficient n9:prediction n9:smiles n9:optimal%20descriptors n9:molecular%20descriptors n9:antineoplastic%20agent n9:system
n3:kodStatuVydavatele
FR - Francouzská republika
n3:kontrolniKodProRIV
[E165D6EACCB6]
n3:nazevZdroje
European Journal of Medicinal Chemistry
n3:obor
n10:FD
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:rokUplatneniVysledku
n4:2010
n3:svazekPeriodika
45
n3:tvurceVysledku
Raška, Ivan jr. Toropova, Alla, P. Toropov, Andrey, A. Benfenati, Emilio
n3:wos
000276054900047
s:issn
0223-5234
s:numberOfPages
9