Displaying 4 results from an estimated 4 matches for "aqueous".
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aqueos
2011 Nov 17
1
tuning random forest. An unexpected result
...RF setting a loop using different range of mtry, tree
and nodesize using the lower value of MSE-OOB
mtry from 1 to 5
nodesize from1 to 10
tree from 1 to 500
using this paper as refery
Palmer, D. S., O'Boyle, N. M., Glen, R. C., & Mitchell, J. B. O. (2007).
Random Forest Models To Predict Aqueous Solubility. Journal of Chemical
Information and Modeling, 47, 150-158.
my problem is the following using data(airquality) :
the tunning parameters with the lower value is:
> print(result.mtry.df[result.mtry.df$RMSE == min(result.mtry.df$RMSE),])
*RMSE = 15.44751
MSE = 238.6257
mtry = 3
nodes...
2009 Apr 24
0
New package: CHNOSZ
...tandard Gibbs energies and
other thermodynamic properties, and chemical affinities, of reactions
between species contained in the thermodynamic database. The database
includes standard thermodynamic properties and equations of state
parameters for a variety of minerals and inorganic and organic aqueous
species. The relative abundances of species in equilibrium can be drawn
on activity diagrams as a function of temperature, pressure and/or
chemical activities of basis species.
The documentation includes many examples taken from the literature, as
well as calculations of the metastability rela...
2009 Apr 24
0
New package: CHNOSZ
...tandard Gibbs energies and
other thermodynamic properties, and chemical affinities, of reactions
between species contained in the thermodynamic database. The database
includes standard thermodynamic properties and equations of state
parameters for a variety of minerals and inorganic and organic aqueous
species. The relative abundances of species in equilibrium can be drawn
on activity diagrams as a function of temperature, pressure and/or
chemical activities of basis species.
The documentation includes many examples taken from the literature, as
well as calculations of the metastability rela...
2011 Nov 16
0
problem to tunning RandomForest, an unexpected result
...RF setting a loop using different range of mtry, tree
and nodesize using the lower value of MSE-OOB
mtry from 1 to 5
nodesize from1 to 10
tree from 1 to 500
using this paper as refery
Palmer, D. S., O'Boyle, N. M., Glen, R. C., & Mitchell, J. B. O. (2007).
Random Forest Models To Predict Aqueous Solubility. Journal of Chemical
Information and Modeling, 47, 150-158.
my problem is the following using data(airquality) :
the tunning parameters with the lower value is:
> print(result.mtry.df[result.
mtry.df$RMSE == min(result.mtry.df$RMSE),])
*RMSE = 15.44751
MSE = 238.6257
mtry = 3
node...