A multi-task graph deep learning model to predict drugs combination of synergy and sensitivity scores

BMC Bioinformatics

Table 8 Results of the MultiComb model for samples not present in the O’Neil dataset

Cell_line	Drug1	Drug2	Actual sensitivity	Actual synergy	Predicted sensitivity	Predicted synergy
A2058	ETOPOSIDE	GEMCITABINE	38.16	− 6.44	38.89	− 4.46
A375	ETOPOSIDE	GEMCITABINE	27.47	18.88	29.12	− 14.3
RPMI7951	ETOPOSIDE	GEMCITABINE	32.42	− 10.64	37.18	− 5.08
SKMEL30	ETOPOSIDE	GEMCITABINE	9.06	− 0.93	26.32	3.41
UACC62	ETOPOSIDE	GEMCITABINE	21.32	− 17.98	21.20	− 3.38
HCT116	METHOTREXATE	CYCLOPHOSPHAMIDE	43.7	− 25.86	39.52	− 27.35
HT29	METHOTREXATE	CYCLOPHOSPHAMIDE	53.56	− 4.08	23.99	− 4.53
NCIH23	METHOTREXATE	CYCLOPHOSPHAMIDE	10.85	− 33.92	9.02	− 7.81
OVCAR3	METHOTREXATE	CYCLOPHOSPHAMIDE	47.49	− 49.97	18.76	− 29.17
UACC62	METHOTREXATE	CYCLOPHOSPHAMIDE	36.3	− 47.24	22.43	− 2.16
HCT116	PACLITAXEL	CYCLOPHOSPHAMIDE	20.37	− 26.66	20.47	3.6
HT29	PACLITAXEL	CYCLOPHOSPHAMIDE	31.89	− 49.13	28.21	− 3.14
NCIH23	PACLITAXEL	CYCLOPHOSPHAMIDE	16.79	− 31.72	17.55	− 4.32
OVCAR3	PACLITAXEL	CYCLOPHOSPHAMIDE	46.81	− 53.34	22.88	− 10.43
UACC62	PACLITAXEL	CYCLOPHOSPHAMIDE	44.46	− 74.85	23.37	2.17
HCT116	PACLITAXEL	METHOTREXATE	32.59	− 28.2	31.73	− 26.07
HT29	PACLITAXEL	METHOTREXATE	34.43	− 35.35	32.79	− 21.26
NCIH23	PACLITAXEL	METHOTREXATE	22.24	− 14.65	21.41	− 14.81
OVCAR3	PACLITAXEL	METHOTREXATE	42.31	− 8.68	21.47	− 19.01
UACC62	PACLITAXEL	METHOTREXATE	48.35	− 22.13	31.72	− 18.49

ISSN: 1471-2105