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Diffstat (limited to 'TODO')
| -rw-r--r-- | TODO | 15 |
1 files changed, 7 insertions, 8 deletions
@@ -17,23 +17,22 @@ warning if query compound contains new functional groups predictions fit experimental data #only combined dataset (training) -combined -> training dataset +#combined -> training dataset -functional groups: remove, minfreq +#functional groups: remove, minfreq smarts f functional groups error band (expermental variability) for fig 7 # paper -datasets: - rat chronic column - preprocessing remove first sentence +#datasets: + #rat chronic column + #preprocessing remove first sentence results: - CheSMapper remove text, figures - light colors at bottom of histograms - fig 2 smiles -> smarts, leave out? + #CheSMapper remove text, figures + #fig 2 smiles -> smarts, leave out? variability from paolos paper https://en.wikipedia.org/wiki/Root_mean_square_deviation |