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Diffstat (limited to 'TODO')
| -rw-r--r-- | TODO | 46 |
1 files changed, 0 insertions, 46 deletions
@@ -1,46 +0,0 @@ -# lazar - -#confidence intervals -TODO: github tags - -#try to increase predictive accuracies - -##radial svm (wores than pls) -#similarity threshold -#activity specific similarities -#uniquedescriptors -#random forests - -# gui -warning if query compound contains new functional groups - -# analysis -#predictions fit experimental data - -#only combined dataset (training) -#combined -> training dataset - -#functional groups: remove, minfreq - -smarts f functional groups - -#error band (experimental variability) for fig 7 - -# paper -#datasets: - #rat chronic column - #preprocessing remove first sentence - -results: - #CheSMapper remove text, figures - #fig 2 smiles -> smarts, leave out? - - #variability from paolos paper - #https://en.wikipedia.org/wiki/Root_mean_square_deviation - #When the RMSD is normalized by the mean measured value, is usually called coefficient of variation of the RMSD, CV(RMSD). It is analogous to the coefficient of variation with the RMSD taking the place of the standard deviation. - -discussion: mispredictions - -#AD definition - -#line nrs in pdf |