[R] help! kennard-stone algorithm in soil.spec packages does not work for my dataset!!!

tauQSAR cisek.2 at buckeyemail.osu.edu
Fri Jul 15 22:09:09 CEST 2011


I'm also trying to use the kennard-stone algorithm in the soil.spec package
for my dataset,
(to generate a training and test set from the data, based on this algorithm,
because it's the
most commonly used and well-performing algorithm in QSAR studies) but it's
generating an error:

> ken.sto(mydataIN)
Error in ken.sto(mydataIN) : subscript out of bounds

My data is a 42 row by 6 column all numerical (except header) matrix of the
format:

id	x1	x2	x3       x4	   y1
2	66.7	7.71	0.079	  4.58	   3.0792
13	79.7	9.57	0.100	  4.82	   2.8451
5	77.7	3.10	0.071	  1.42	   0.4771
6	82.1	7.58	0.071	  2.08	   0.7160
32	98.8	5.60	0.143	  3.27	   1.7160
36	93.3	4.74	0.097	  4.16	   1.7160
...

I cannot find any documentation for the exact format of the data matrix for
this
function (http://www.inside-r.org/packages/cran/soil.spec/docs/ken.sto does
not
have this information). Any help would be appreciated!!!

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