Research Paper Volume 14, Issue 3 pp 1448—1472
Screening of antibacterial compounds with novel structure from the FDA approved drugs using machine learning methods
Figure 3. Antibacterial prediction results of approved small-molecule drugs. (A) The probability of predicted antibacterial activity for all small-molecule drugs in the SVM, RF, and MLP models. A drug with a probability value greater than 0.5 is considered an active antibacterial compound. (B) Venn diagram of the predicted antibacterial drugs in three machine learning models. (C) Venn diagram of the predicted antibacterial drugs and FDA-approved antibacterial drugs. (D) The top 20 categories of the 957 predicted novel antibacterial drugs.