Skip to main content
. 2023 Mar 19;13(3):449. doi: 10.3390/metabo13030449

Figure 2.

Figure 2

Data distribution. (A) Principal component analysis (PCA) on FDA-approved drugs and compounds in the training and test data sets on the feature of Morgan fingerprint (size = 1024 bits, radius = 2); (B) Histogram of the frequency distribution of Tanimoto similarity for the training set on the feature of Morgan fingerprint (size = 1024 bits, radius = 2); (C) Histogram of the frequency distribution of Tanimoto similarity for the test set on the feature of Morgan fingerprint (size = 1024 bits, radius = 2).