Figure 3.

Deep learning-based de novo drug design. DL-based de novo drug design can be classified into five types according to function and method. (a) Classification according to the presence or absence of chemical latent space using manifold learning. (b) Classification according to the existence of condition control function. (c) Classification based on sequential generation. (d) Classification based on whether the molecule is produced in fragments or atoms. (e) Classification according to genetic algorithm using DL.