AP_sim2comp | Structure Similarity between two new compound |
AP_simCMAP | Structure Similarity compound-CMAPset |
DrugInfoCMAP-class | An S4 class to represent a Drug information set |
geneExpr_upload | Gene Expression data upload when it is available |
GetAllSimilarityScores | All similarity score computation among new compounds |
GetAllSimilarityScoresCMAP | All similarity score computation between two new compound and... |
GetATCcodeScore | ATC code score similarity between a new compound and a set of... |
GetGeneExprScore | Gene Expression similarity between two new compound and... |
GetKEGGScore | KEGG data score similarity between a new compound and... |
GetLitteratureCo_occ | co-occurrence similarity between two new compound and... |
get_pmid | get PMID file from PubMed |
get_sdf | Get sdf file from PubChem and conversion of the sdf in Atom... |
LoadModelData | Predictive Model data and CMAP similarity data |
LoadPackage | Import packages |
makeResultsDirectory | Make result folder |
OrderCompound | Order |
PredictNewDrugSimilarity | Predicition of new drug similarity scores |
readDrugInfo | Drug Information file reading |
UploadAllData | Conncectivity map (CMAP) data and new chemical information |
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