Entity,Qualifiers,Preferred Ontologies,Value,Comments,DOME
model,bqbiol:hasTaxon,NCBI Taxonomy,https://identifiers.org/taxonomy/1773,Mycobacterium tuberculosis (Mtb),
model,bqbiol:hasTaxon,NCBI Taxonomy,https://identifiers.org/taxonomy/9606,Homo Sapiens,
model,bqbiol:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C128417,Drug-resistant tuberculosis (XDR-TB),
model,bqbiol:hasProperty,Experimental Factor Ontology EFO,https://identifiers.org/EFO:0005741,Infectious disease,
model,bqbiol:hasProperty,Bioinformatics Concept EDAM,https://identifiers.org/bptl/edam:topic_0154,Small molecules,
model,bqbiol:hasProperty,Bioinformatics Concept EDAM,https://identifiers.org/bptl/edam:topic_3336,Drug discovery,
model,bqbiol:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C3423,Tuberculosis,
model,bqmodel:hasProperty,Bioinformatics Concept EDAM,https://identifiers.org/bptl/edam:topic_3474,Machine learning,
model,bqmodel:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C16309,Artificial Intelligence,
model,bqmodel:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C78542,Support vector machine,Optimization-Algorithm
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000549,Random forest (RF),Optimization-Algorithm
model,bqmodel:hasProperty,Software Ontology SWO,https://github.com/dmlc/xgboost,Extreme gradient boosting (XGBoost),Optimization-Algorithm
model,bqmodel:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C17429,Deep neural networks (DNN),Optimization-Algorithm
model,bqmodel:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C25161,Classification models,Optimization-Algorithm
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000031,Binary classification,Optimization-Algorithm
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000415,Accuracy,Evaluation-Performance Measure
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000233,Sensitivity/recall,Evaluation-Performance Measure
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000134,Specificity,Evaluation-Performance Measure
model,bqmodel:hasProperty,Model Card Ontology MCRO,https://identifiers.org/MCRO:0000009,F1-measure (F1),Evaluation-Performance Measure
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000524,Matthews correlation coefficient (MCC),Evaluation-Performance Measure
model,bqmodel:hasProperty,STATO: the statistical methods ontology,https://identifiers.org/STATO:0000274,AUC–ROC,Evaluation-Performance Measure
model,bqmodel:hasProperty,Ontology for Biomedical Investigations OBI,https://identifiers.org/obi:OBI_0200032,10-fold cross-validation,Evaluation-Method
model,bqbiol:hasProperty,BioAssay Ontology BAO,https://identifiers.org/BAO:0002305,QSAR,
model,bqbiol:hasProperty,Chemical information ontology (cheminf),https://identifiers.org/CHEMINF:000800,RDKit descriptors,Optimization-Encoding
model,bqbiol:hasProperty,BioAssay Ontology BAO,https://identifiers.org/BAO:0002262,MACCS Keys (MACCS),Optimization-Encoding
model,bqbiol:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C42791,Inhibition,
model,bqbiol:hasProperty,Chemical Entities of Biological Interest CHEBI,https://identifiers.org/CHEBI:35222,Inhibitor,
model,bqbiol:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C45329,Active,
model,bqbiol:hasProperty,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C154407,Inactive,
model,bqbiol:isDescribedBy,Ersilia Model Hub,https://github.com/ersilia-os/eos46ev,Model Incorporation in Ersilia,Model-Executable form
model,bqbiol:isDescribedBy,PMID,https://identifiers.org/pubmed:33822874,PubMed URL,
model,bqbiol:isDescribedBy,Web server model deployment,http://cadd.zju.edu.cn/chemtb/,ChemTB Online web server/Original source code,Model-Web server
model,bqbiol:hasInput,Chemical information ontology (cheminf),https://identifiers.org/CHEMINF:000018,Smiles descriptor,Data-Input
model,bqbiol:hasDataset,BioAssay Ontology BAO,https://identifiers.org/BAO:0000614,Mtb bioactivity dataset on CHEMBL,Data-Source
model,bqbiol:hasOutput,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C280,MTB bioactivity prediction,Model-Output; Classification
model,bqbiol:hasOutput,NCI Thesaurus OBO Edition NCIT,https://identifiers.org/NCIT:C280,MTB non-inhibitors prediction,Model-Output; Classification