Table 3.

Weight of energy terms in the scoring function

Feature (energy term)	Weight in SVM	Weight in TSVM
Side-chain van der Waals	0.29 ± 0.05	0.37 ± 0.08
Side-chain hydrogen bond	0.15 ± 0.01	0.24 ± 0.03
Side-chain electrostatics	0.07 ± 0.03	0.08 ± 0.02
Side-chain desolvation	0.22 ± 0.01	0.19 ± 0.05
Environment van der Waals	0.17 ± 0.01	0.12 ± 0.04
Environment hydrogen bond	0.22 ± 0.04	0.24 ± 0.03
Environment electrostatics	0.07 ± 0.02	0.02 ± 0.03
Environment desolvation	0.12 ± 0.04	0.16 ± 0.04
Threshold	0.31 ± 0.07	0.90 ± 0.06

We report the absolute value of the weight associated to each feature in the scoring function as determined by SVM and TSVM, together with the threshold that defines the decision boundary.