cleanup, scripts adjusted, improved figures

1 files changed, 6 insertions, 6 deletions

diff --git a/mutagenicity.md b/mutagenicity.md
index 2af6ee4..aed1978 100644
--- a/mutagenicity.md
+++ b/mutagenicity.md
@@ -487,11 +487,11 @@ Crossvalidation results are summarized in the following tables: @tbl:lazar
 shows `lazar` results with MolPrint2D and CDK descriptors, @tbl:R R results
 and @tbl:tensorflow Tensorflow results.
 
-|  | lazar (high confidence) | lazar (all) | RF | LR-sgi | LR-scikit | NN | SVM |
-|:-|-------------------------|-------------|----|--------|-----------|----|-----|
+|  | lazar-HC | lazar-all | RF | LR-sgi | LR-scikit | NN | SVM |
+|:-|----------|-----------|----|--------|-----------|----|-----|
 Accuracy | {{cv.lazar-mp2d-high-confidence.acc_perc}} | {{cv.lazar-mp2d-all.acc_perc}} | {{cv.tensorflow-rf-mp2d.acc_perc}} | {{cv.tensorflow-lr-mp2d.acc_perc}} | {{cv.tensorflow-lr2-mp2d.acc_perc}} | {{cv.tensorflow-nn-mp2d.acc_perc}} | {{cv.tensorflow-svm-mp2d.acc_perc}} |
 True positive rate | {{cv.lazar-mp2d-high-confidence.tpr_perc}} | {{cv.lazar-mp2d-all.tpr_perc}} | {{cv.tensorflow-rf-mp2d.tpr_perc}} | {{cv.tensorflow-lr-mp2d.tpr_perc}} | {{cv.tensorflow-lr2-mp2d.tpr_perc}} | {{cv.tensorflow-nn-mp2d.tpr_perc}} | {{cv.tensorflow-svm-mp2d.tpr_perc}} |
-True negative rate | {{cv.lazar-mp2d-high-confidence.fpr_perc}} | {{cv.lazar-mp2d-all.fpr_perc}} | {{cv.tensorflow-rf-mp2d.fpr_perc}} | {{cv.tensorflow-lr-mp2d.fpr_perc}} | {{cv.tensorflow-lr2-mp2d.fpr_perc}} | {{cv.tensorflow-nn-mp2d.fpr_perc}} | {{cv.tensorflow-svm-mp2d.fpr_perc}} |
+True negative rate | {{cv.lazar-mp2d-high-confidence.tnr_perc}} | {{cv.lazar-mp2d-all.tnr_perc}} | {{cv.tensorflow-rf-mp2d.tnr_perc}} | {{cv.tensorflow-lr-mp2d.tnr_perc}} | {{cv.tensorflow-lr2-mp2d.tnr_perc}} | {{cv.tensorflow-nn-mp2d.tnr_perc}} | {{cv.tensorflow-svm-mp2d.tnr_perc}} |
 Positive predictive value | {{cv.lazar-mp2d-high-confidence.ppv_perc}} | {{cv.lazar-mp2d-all.ppv_perc}} | {{cv.tensorflow-rf-mp2d.ppv_perc}} | {{cv.tensorflow-lr-mp2d.ppv_perc}} | {{cv.tensorflow-lr2-mp2d.ppv_perc}} | {{cv.tensorflow-nn-mp2d.ppv_perc}} | {{cv.tensorflow-svm-mp2d.ppv_perc}} |
 Negative predictive value | {{cv.lazar-mp2d-high-confidence.npv_perc}} | {{cv.lazar-mp2d-all.npv_perc}} | {{cv.tensorflow-rf-mp2d.npv_perc}} | {{cv.tensorflow-lr-mp2d.npv_perc}} | {{cv.tensorflow-lr2-mp2d.npv_perc}} | {{cv.tensorflow-nn-mp2d.npv_perc}} | {{cv.tensorflow-svm-mp2d.npv_perc}} |
 Nr. predictions | {{cv.lazar-mp2d-high-confidence.n}} | {{cv.lazar-mp2d-all.n}} | {{cv.tensorflow-rf-mp2d.n}} | {{cv.tensorflow-lr-mp2d.n}} | {{cv.tensorflow-lr2-mp2d.n}} | {{cv.tensorflow-nn-mp2d.n}} | {{cv.tensorflow-svm-mp2d.n}} |
@@ -499,11 +499,11 @@ Nr. predictions | {{cv.lazar-mp2d-high-confidence.n}} | {{cv.lazar-mp2d-all.n}}
 : Summary of crossvalidation results with MolPrint2D descriptors {#tbl:cv-mp2d}
 
 
-|  | lazar (high confidence) | lazar (all) | RF | LR-sgi | LR-scikit | NN | SVM |
-|:-|-------------------------|-------------|----|--------|-----------|----|-----|
+|  | lazar-HC | lazar-all | RF | LR-sgi | LR-scikit | NN | SVM |
+|:-|----------|-----------|----|--------|-----------|----|-----|
 Accuracy | {{cv.lazar-cdk-high-confidence.acc_perc}} | {{cv.lazar-cdk-all.acc_perc}} | {{cv.tensorflow-rf-cdk.acc_perc}} | {{cv.tensorflow-lr-cdk.acc_perc}} | {{cv.tensorflow-lr2-cdk.acc_perc}} | {{cv.tensorflow-nn-cdk.acc_perc}} | {{cv.tensorflow-svm-cdk.acc_perc}} |
 True positive rate | {{cv.lazar-cdk-high-confidence.tpr_perc}} | {{cv.lazar-cdk-all.tpr_perc}} | {{cv.tensorflow-rf-cdk.tpr_perc}} | {{cv.tensorflow-lr-cdk.tpr_perc}} | {{cv.tensorflow-lr2-cdk.tpr_perc}} | {{cv.tensorflow-nn-cdk.tpr_perc}} | {{cv.tensorflow-svm-cdk.tpr_perc}} |
-True negative rate | {{cv.lazar-cdk-high-confidence.fpr_perc}} | {{cv.lazar-cdk-all.fpr_perc}} | {{cv.tensorflow-rf-cdk.fpr_perc}} | {{cv.tensorflow-lr-cdk.fpr_perc}} | {{cv.tensorflow-lr2-cdk.fpr_perc}} | {{cv.tensorflow-nn-cdk.fpr_perc}} | {{cv.tensorflow-svm-cdk.fpr_perc}} |
+True negative rate | {{cv.lazar-cdk-high-confidence.tnr_perc}} | {{cv.lazar-cdk-all.tnr_perc}} | {{cv.tensorflow-rf-cdk.tnr_perc}} | {{cv.tensorflow-lr-cdk.tnr_perc}} | {{cv.tensorflow-lr2-cdk.tnr_perc}} | {{cv.tensorflow-nn-cdk.tnr_perc}} | {{cv.tensorflow-svm-cdk.tnr_perc}} |
 Positive predictive value | {{cv.lazar-cdk-high-confidence.ppv_perc}} | {{cv.lazar-cdk-all.ppv_perc}} | {{cv.tensorflow-rf-cdk.ppv_perc}} | {{cv.tensorflow-lr-cdk.ppv_perc}} | {{cv.tensorflow-lr2-cdk.ppv_perc}} | {{cv.tensorflow-nn-cdk.ppv_perc}} | {{cv.tensorflow-svm-cdk.ppv_perc}} |
 Negative predictive value | {{cv.lazar-cdk-high-confidence.npv_perc}} | {{cv.lazar-cdk-all.npv_perc}} | {{cv.tensorflow-rf-cdk.npv_perc}} | {{cv.tensorflow-lr-cdk.npv_perc}} | {{cv.tensorflow-lr2-cdk.npv_perc}} | {{cv.tensorflow-nn-cdk.npv_perc}} | {{cv.tensorflow-svm-cdk.npv_perc}} |
 Nr. predictions | {{cv.lazar-cdk-high-confidence.n}} | {{cv.lazar-cdk-all.n}} | {{cv.tensorflow-rf-cdk.n}} | {{cv.tensorflow-lr-cdk.n}} | {{cv.tensorflow-lr2-cdk.n}} | {{cv.tensorflow-nn-cdk.n}} | {{cv.tensorflow-svm-cdk.n}} |