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. Author manuscript; available in PMC: 2022 Jan 4.
Published in final edited form as: Mol Pharm. 2020 Dec 16;18(1):403–415. doi: 10.1021/acs.molpharmaceut.0c01013

Table 3.

Distance from the top normalized score (Kruskal-Wallis test (Independent comparison) with Dunn’s multiple comparisons follow up tests).

Rank Normalized Score (DFT): Independent Comparison (Adjusted P-score)
Algorithm Ada Bnb DL Knn RF SVC AC
Ada N/A <0.0001**** <0.0001**** <0.0001**** <0.0001**** <0.0001**** <0.0001****
Bnb <0.0001**** N/A <0.0001**** <0.0001**** <0.0001**** <0.0001**** <0.0001****
DL <0.0001**** <0.0001**** N/A <0.0001**** <0.0001**** <0.0001**** <0.0001****
Knn <0.0001**** <0.0001**** <0.0001**** N/A 0.662 (ns) <0.0001**** <0.0001****
RF <0.0001**** <0.0001**** <0.0001**** 0.662 (ns) N/A <0.0001**** <0.0001****
SVC <0.0001**** <0.0001**** <0.0001**** <0.0001**** <0.0001**** N/A <0.0001****
AC <0.0001**** <0.0001**** <0.0001**** <0.0001**** <0.0001**** <0.0001**** N/A
Rank Normalized Score (DFT): Independent Comparison (Mean Rank Difference)
Winning
Algorithm 		Ada Bnb DL Knn RF SVC AC
Ada N/A 943.4****
Bnb N/A
DL 5781**** 6725**** N/A
Knn 7777**** 8721**** 1996**** N/A
RF 8215**** 9158**** 2434**** 437.8 (ns) N/A
SVC 13256**** 14199**** 7475**** 5479**** 5041**** N/A
AC 15841**** 16784**** 10059**** 8064**** 7626**** 2585**** N/A

AC = Assay Central (Bayesian), rf = Random Forest, knn = k-Nearest Neighbors, svc = Support Vector Classification, bnb = Naïve Bayesian, ada = AdaBoosted Decision Trees, DL = Deep Learning.