Figure S1. Evolution of peptide scores.

Figure S2. Evolution of peptide scores at early generations.

Figure S3. Evolution of peptide amino acid composition.

Figure S4. Structure of an artificial neural network.

Figure S5. Half-normal plots of leverage.

Table S1. Inductive and conventional molecular descriptors for the quantitative structure-activity relationship modeling.

Table S2. Peptide purity data.

Table S3. Amino acid frequency of original population.

Table S4. Simulation from random initial peptides.

Table S5. Leverage values for experimental peptides.

Table S6. Leverage values for simulated peptides.

Appendix S1. Methods and Materials.

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