Journal of Cheminformatics

Table 1 Results of KG-based models

From: SimVec: predicting polypharmacy side effects for new drugs

Model	Uniform split		Weak nodes split
Model	ROC AUC	AUC PR	ROC AUC	AUC PR
RESCAL_originala	0.693	0.613	0.44 ± 0.015	0.535 ± 0.08
RESCAL_chem	0.693 ± 0.001	0.613 ± 0.002	0.374 ± 0.003	0.479 ± 0.004
RESCAL_SE	0.693 ± 0.001	0.613 ± 0.001	0.371 ± 0.002	0.469 ± 0.002
Decagon_{original_SE}a	0.872	0.832	0.3 ± 0.02	0.45 ± 0.008
Decagon_chem	0.821 ± 0.005	0.785 ± 0.004	0.321 ± 0.003	0.445 ± 0.004
TriVec_originala	0.975	0.966	0.44 ± 0.016	0.535 ± 0.07
TriVec_SE	0.975 ± 0.002	0.967 ± 0.002	0.397 ± 0.002	0.492 ± 0.003
SimVec_chem	0.975 ± 0.002	0.966 ± 0.003	0.513 ± 0.009	0.568 ± 0.004
SimVec_SE	0.975 ± 0.003	0.967 ± 0.002	0.742 ± 0.006	0.719 ± 0.005
SimVec_weighted	0.975 ± 0.001	0.967 ± 0.001	0.525 ± 0.008	0.571 ± 0.005
SimVecVec_{chem_weighted}	0.975 ± 0.002	0.966 ± 0.003	0.51 ± 0.006	0.56 ± 0.003
SimVec_{SE_chem}	0.975 ± 0.001	0.967 ± 0.002	0.741 ± 0.007	0.719 ± 0.005
SimVec_{SE_weighted}	0.975 ± 0.002	0.967 ± 0.002	0.764 ± 0.005	0.739 ± 0.004
SimVec_full	0.975 ± 0.002	0.968 ± 0.003	0.773 ± 0.006	0.745 ± 0.003

^aReported in [11]

Back to article page

ISSN: 1758-2946

Contact us

Submission enquiries: journalsubmissions@springernature.com