HeteroML

This repository includes all supplemental material for the publication entitled "Heterologous machine learning for the identification of antimicrobial activity in human-targeted drugs", by Rodrigo A. Nava Lara and collaborators, submitted to Molecules. This material include the following files:

File Name	Description
File S1	Script to execute the best model to predict antimicrobials on FDA-approved drugs
Table S1	Training sets in ARF format for TrOnlyPeptides
Table S2	Training sets in ARFF format for TrNPCC1
Table S3	Training sets in ARFF format for TrNPCC2
Table S4	Training sets in ARFF format for TrNPCC3
Table S5	Training sets in ARFF format for TrNPCC4
Table S6	Training sets in ARFF format for TrHeterologous1
Table S7	Training sets in ARFF format for TrHeterologous2
Table S8	Training sets in ARFF format for TrHeterologous3
Table S9	Training sets in ARFF format for TrHeterologous4
Table S10	Testing sets in ARF format for TeOnlyPeptides
Table S11	Testing sets in ARF format for TeNPCC1
Table S12	Testing sets in ARF format for TeNPCC2
Table S13	Testing sets in ARF format for TeNPCC3
Table S14	Testing sets in ARF format for TeNPCC4
Table S15	Testing sets in ARF format for TeHetrelogous1
Table S16	Testing sets in ARF format for TeHetrelogous2
Table S17	Testing sets in ARF format for TeHetrelogous3
Table S18	Testing sets in ARF format for TeHetrelogous4
Table S19	Parameter values for all models tested
Table S20	CScore values for all model tested
Table S21	Discovery set