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Description
  • The regression diagnostics algorithm REGDIA in S-Plus is introduced to examine the accuracy of pK a predicted with four programs: PALLAS, MARVIN, PERRIN and SYBYL. On basis of a statistical analysis of residuals, outlier diagnostics are proposed. Residual analysis of the ADSTAT program is based on examining goodness-of-fit via graphical diagnostics of 15 exploratory data analysis plots, such as bar plots, box-and-whisker plots, dot plots, midsum plots, symmetry plots, kurtosis plots, differential quantile plots, quantile-box plots, frequency polygons, histograms, quantile plots, quantile-quantile plots, rankit plots, scatter plots, and autocorrelation plots.
  • The regression diagnostics algorithm REGDIA in S-Plus is introduced to examine the accuracy of pK a predicted with four programs: PALLAS, MARVIN, PERRIN and SYBYL. On basis of a statistical analysis of residuals, outlier diagnostics are proposed. Residual analysis of the ADSTAT program is based on examining goodness-of-fit via graphical diagnostics of 15 exploratory data analysis plots, such as bar plots, box-and-whisker plots, dot plots, midsum plots, symmetry plots, kurtosis plots, differential quantile plots, quantile-box plots, frequency polygons, histograms, quantile plots, quantile-quantile plots, rankit plots, scatter plots, and autocorrelation plots. (en)
Title
  • Outliers detection in the statistical accuracy test of a stability constants prediction
  • Outliers detection in the statistical accuracy test of a stability constants prediction (en)
skos:prefLabel
  • Outliers detection in the statistical accuracy test of a stability constants prediction
  • Outliers detection in the statistical accuracy test of a stability constants prediction (en)
skos:notation
  • RIV/00216305:26210/10:PU90745!RIV12-MSM-26210___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(1M06047)
http://linked.open...iv/cisloPeriodika
  • 2
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 277743
http://linked.open...ai/riv/idVysledku
  • RIV/00216305:26210/10:PU90745
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • pKa prediction, Dissociation constants, Outliers, Residuals, Goodness of fit, Williams graph (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [2C1B1ECF7A47]
http://linked.open...i/riv/nazevZdroje
  • JOURNAL OF MATHEMATICAL CHEMISTRY
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 47
http://linked.open...iv/tvurceVysledku
  • Kupka, Karel
  • Meloun, Milan
  • Brodovská, Sylva
issn
  • 0259-9791
number of pages
http://localhost/t...ganizacniJednotka
  • 26210
is http://linked.open...avai/riv/vysledek of
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