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Table 4 The performance of models developed on EGFR100 and EGFR1000 train sets using different PubChem fingerprints and evaluated on validations sets

From: QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest

Trained on Tested on Fingerprints count Sensitivity Specificity Accuracy MCC ROC
EGFR100 train set EGFR100 train set PubChem 881 88.01 73.34 78.2 0.58 0.90
EGFR100 train set EGFR100 validation set PubChem 881 91.1 68.5 76.8 0.58 0.90
EGFR1000 train set EGFR1000 train set PubChem 881 86.97 78.36 82.92 0.66 0.89
EGFR1000 train set EGFR1000 validation set PubChem 881 85.7 85.5 85.6 0.71 0.90