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author | Christoph Helma <helma@in-silico.ch> | 2020-10-10 17:05:41 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2020-10-10 17:05:41 +0200 |
commit | e451d812f3b63d1987c8f1e7f5557156fdab984f (patch) | |
tree | f5b4e1730f0b75593925b3287d3a37fa70fa507e /mutagenicity.md | |
parent | 23ce84a7da69104fa763d5a3911b7b0ad98fbdbc (diff) |
Makefile and scripts cleanup; lazar, R and tensorflow tables
Diffstat (limited to 'mutagenicity.md')
-rw-r--r-- | mutagenicity.md | 12 |
1 files changed, 11 insertions, 1 deletions
diff --git a/mutagenicity.md b/mutagenicity.md index 418c2d1..9012ce5 100644 --- a/mutagenicity.md +++ b/mutagenicity.md @@ -476,6 +476,16 @@ Results Crossvalidation results are summarized in the following tables: @tbl:lazar shows `lazar` results with MolPrint2D and PaDEL descriptors, @tbl:R summarizes R results and @tbl:tensorflow Tensorflow results. + +```{#tbl:lazar .table file="tables/lazar-summary.csv" caption="Summary of lazar crossvalidation results"} +``` + +```{#tbl:R .table file="tables/r-summary.csv" caption="Summary of R crossvalidation results"} +``` + +```{#tbl:tensorflow .table file="tables/tensorflow-summary.csv" caption="Summary of tensorflow crossvalidation results"} +``` + @fig:roc depicts the position of all crossvalidation results in receiver operating characteristic (ROC) space. Confusion matrices for all models are available from the git repository http://git.in-silico.ch/mutagenicity-paper/10-fold-crossvalidations/confusion-matrices/, individual predictions can be found in @@ -483,6 +493,7 @@ http://git.in-silico.ch/mutagenicity-paper/10-fold-crossvalidations/predictions/ The most accurate crossvalidation predictions have been obtained with `lazar` models with MolPrint2D descriptors ({{lazar-high-confidence.acc}} for predictions with high confidence, {{lazar-all.acc}} for all predictions). Models utilizing PaDEL descriptors have generally lower accuracies ranging from TODO to TODO. Sensitivity and specificity is generally well balanced with the exception of `lazar`-PaDEL (low sensitivity) and R deep learning (low specificity) models. +<!-- | |R-RF | R-SVM | R-DL | TF | TF-FS | L | L-HC | L-P | L-P-HC| |-|-----|-------|------|----|-------|---|------|------|--------| |Accuracy|{{R-RF.acc}}|{{R-SVM.acc}}|{{R-DL.acc}}|{{tensorflow-all.acc}}|{{tensorflow-selected.acc}}|{{lazar-all.acc}}|{{lazar-high-confidence.acc}}|{{lazar-padel-all.acc}}|{{lazar-padel-high-confidence.acc}}| @@ -496,7 +507,6 @@ The most accurate crossvalidation predictions have been obtained with `lazar` mo ![ROC plot of crossvalidation results. *R-RF*: R Random Forests, *R-SVM*: R Support Vector Machines, *R-DL*: R Deep Learning, *TF*: Tensorflow without feature selection, *TF-FS*: Tensorflow with feature selection, *L*: lazar, *L-HC*: lazar high confidence predictions, *L-P*: lazar with PaDEL descriptors, *L-P-HC*: lazar PaDEL high confidence predictions (overlaps with L-P)](figures/roc.png){#fig:roc} -<!-- R Models -------- |