# Rank = Ranked by SVM Prob and RF Prob # Query ID = Query compound # Match ID = The highest similarity active anti-HIV 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 Vemurafenib CHEMBL1645560 0.473 0.921 1 0.613 1 High 2 Nevirapine 641530 1.0 0.851 1 0.681 1 High 3 Aspirin 650043 0.521 0.007 0 0.007 0 Low # Start Time: Nov 13 2018 17:01:19 # End Time: Nov 13 2018 17:01:39