TargetNet


P00766

Chymotrypsinogen A


Function

Not available.


Database Links

Database Links
UniProt P00766
PDB 1AB9, 1ACB, 1AFQ, 1CA0, 1CBW, 1CGI, 1CGJ, 1CHG, 1CHO, 1DLK, 1EX3, 1GCD, 1GCT, 1GG6, 1GGD, 1GHA, 1GHB, 1GL0, 1GL1, 1GMC, 1GMD, 1GMH, 1HJA, 1K2I, 1MTN, 1N8O, 1OXG, 1P2M, 1P2N, 1P2O, 1P2Q, 1T7C, 1T8L, 1T8M, 1T8N, 1T8O, 1VGC, 1YPH, 2CGA, 2CHA, 2GCH, 2GCT, 2GMT, 2P8O, 2VGC, 2Y6T, 3BG4, 3GCH, 3GCT, 3RU4, 3T62, 3VGC, 4CHA, 4GCH, 4VGC, 5CHA, 5GCH, 6CHA, 6GCH, 7GCH, 8GCH
BioGrid Not available
BindingDB P00766
DrugBank Not available
Guide to PHARMACOLOGY Not available
PharmGKB Not available
KEGG Not available
BioCyc Not available
Entrez Gene (GeneID) Not available

Chemical Space of the Positive Compounds


Model Performance Metrics

Metric Mean Value Standard Deviation
AUC 0.8829 0.0074
Accuracy 0.8093 0.0094
Sensitivity 0.787 0.0091
Specificity 0.8291 0.0139
BEDROC 0.9667 0.0061
MCC Threshold 0.546 N/A
MCC 0.6403 N/A
F-score Threshold 0.34 N/A
F-score 0.8112 N/A

Downloads

R Model Object

Random Forest model object (.RData)

Download RData

Positive Set

SMILES string + affinity value (.tsv)

Download TSV


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Page generated on: 2014-04-29 14:39:17