# Rank = Ranked by SVM Prob and RF Prob # Query ID = Query compound # Match ID = The highest similarity active anti-bacterial compound # Max TC = Maximum tanimoto coefficient based on fingerprint # SVM Prob = Probability estimation by support vector machine # SVM Pred = Predict estimation by support vector machine # RF Prob = Probability estimation by random forest # RF Pred = Predict estimation by random forest # Activity = Activity classification (Low, Moderate, High) Rank Query ID Match ID Max TC SVM Prob SVM Pred RF Prob RF Pred Activity 1 Sitagliptin CHEMBL544307 0.392 0.885 1 0.669 1 High 2 Terciprazine CHEMBL401927 0.419 0.852 1 0.657 1 High 3 CHEMBL1958457 CHEMBL124961 0.341 0.516 0 0.535 1 Moderate # Start Time: Nov 13 2018 15:26:47 # End Time: Nov 13 2018 15:26:58