Defining Peptides in ChEBI - Supplementary Data

Supplementary data for the paper "Defining Peptides in ChEBI". This dataset includes: Additional File 1: chemlog.omn - The revised peptide ontology (OWL Manchester Syntax) Additional File 2: substructures_fol.tptp - The FOL definitions of 2,5-diketopiperazines and emericellamide (TPTP Syntax) Additional File 3: proteinogenics_fol.tptp - The FOL definitions of proteinogenic amino acid residues (TPTP Syntax) Additional File 4: pubchem_classification_results.zip - Classification results of our approach on PubChem molecules (JSON) Additional File 5: chebi_classification_results.json - Classification results of our approach on ChEBI molecules (JSON) Additional File 6: chebi_3_star_molecules_manual_eval.ods - Manual classification of ChEBI molecules where our approach did not make a positive classification made by ChEBI (OpenDocument Spreadsheet) Additional File 7: questionnaire_peptide_classification.odt - Questionnaire used for the expert survey (OpenDocument Text) Additional File 8: questionnaire_peptide_classification.pdf - Questionnaire used for the expert survey (PDF)