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. 2018 Oct 4;23(10):2535. doi: 10.3390/molecules23102535

Table 4.

Performance comparison of different features on the independent test dataset (BID18).

Methods Features SPE SEN PRE ACC F1 MCC AUC
SVM Physicochemical 0.577 0.393 0.597 0.583 0.472 0.162 0.634
PSSM 0.675 0.438 0.561 0.640 0.491 0.223 0.663
Blocks substitution matrix 0.626 0.435 0.632 0.628 0.512 0.242 0.661
ASA 0.597 0.446 0.716 0.634 0.549 0.290 0.693
Solvent exposure 0.642 0.403 0.532 0.608 0.456 0.167 0.617
Combined 0.569 0.464 0.832 0.650 0.586 0.353 0.732
RF Physicochemical 0.632 0.414 0.576 0.614 0.479 0.196 0.624
PSSM 0.703 0.417 0.474 0.632 0.443 0.171 0.616
Blocks substitution matrix 0.62 0.408 0.575 0.607 0.474 0.185 0.627
ASA 0.604 0.437 0.686 0.629 0.534 0.268 0.679
Solvent exposure 0.59 0.402 0.612 0.597 0.484 0.188 0.64
Combined 0.612 0.466 0.753 0.656 0.575 0.338 0.758
GTB Physicochemical 0.531 0.384 0.643 0.566 0.478 0.163 0.625
PSSM 0.681 0.416 0.506 0.627 0.456 0.178 0.638
Blocks substitution matrix 0.580 0.400 0.617 0.592 0.480 0.184 0.624
ASA 0.585 0.437 0.718 0.626 0.543 0.280 0.679
Solvent exposure 0.592 0.389 0.579 0.588 0.465 0.159 0.646
Combined 0.621 0.476 0.766 0.666 0.597 0.378 0.769