Skip to main content

Table 1 Collaborative Filtering hyper-parameter tuning: Tabulated top 5 results from training multiple collaborative filtering models using neighborhood methods and matrix factorization methods

From: Implicit-descriptor ligand-based virtual screening by means of collaborative filtering

Distance

N. Threshold

AUC

BEDROC20

EF1%

Neighborhood-based collaborative filtering

 Pearson

10−2

0.791

0.723

4.225

 Pearson

10−5

0.792

0.723

4.225

 Pearson

10−4

0.791

0.723

4.225

 Jaccard

10−2

0.648

0.647

3.670

 Cosine

10−5

0.644

0.647

3.670

Num. Factors

SGD step size

AUC

BEDROC20

EF1%

Matrix factorization-based collaborative filtering

 50

10−3

0.891

0.929

5.476

 32

10−4

0.860

0.889

5.028

 32

10−2

0.899

0.872

4.994

 25

10−4

0.868

0.867

4.765

 25

10−2

0.892

0.847

4.547