Table 1.
The number of compounds and number of duplicate structures in each databases.
Figure 1.
Distribution of five molecular descriptors of natural products and approved drugs.
Table 2.
Statistics of molecular descriptors of natural products in UNPD and FDA-approved drugs in DrugBank.
Figure 2.
The distribution in chemical space according to principal component analysis of natural products in UNPD and FDA-approved drugs.
The green triangles and black dots represent natural products and FDA-approved drugs, respectively.
Table 3.
Statistics of satisfied conditions for “rule of five” of natural products in UNPD and approved small drugs in DrugBank.
Figure 3.
Drug-target network of natural products and their experimental targets (DTNe).
The size of each node is proportional to its degree. The nodes are colored according to their shortest-path betweenness in the network. Circles and triangles correspond to small compounds (natural products or drugs) and target proteins, respectively.
Figure 4.
Distribution of docking score of natural products.
Figure 5.
Drug-target network of natural products and their computational targets.
Representations of the symbols are the same to Figure 3.
Table 4.
General characteristics of three drug-target networks.
Table 5.
Most potential natural products for lead discovery.
Figure 6.
Prediction model of indications for natural products.
Table 6.
Predicted indications for natural products.