A Discovery Strategy for Active Compounds of Chinese Medicine Based on the Prediction Model of Compound-Disease Relationship

Figure 1

The experimental flow chart. (a) Draw a grayscale map based on the existing compound-disease relationship (CDR). (b) Convolutional Neural Networks (CNNs) are used to build models that identify candidate CDRs. (c) Models are used to predict candidate active compounds and extract structural features of antitumor compounds.

(a)

). (b)

(c)