Table 11 Highest drug combination scores with a type of tissue cancer and drug pair information.

From: Harnessing machine learning to find synergistic combinations for FDA-approved cancer drugs

Reference that confirms our results	Our results
	Cell line	Tissue disease	Drug 1		Drug 2		CSS
	Cell line	Tissue disease	Name	Mechanism	Name	Mechanism	CSS
⁷⁶	A2058	Epithelial/ Melanoma	Gemcitabine	CDK inhibitor	MK-8776	Inhibit phosphorylation at ser296-Chk1	42.96965
⁷⁷	A375	Epithelial/ Melanoma	Mitomycin	Alkylating agent, crosslink DNA	BEZ-235	mTOR inhibitor or	42.9484
⁴⁰	HT144	Human skin malignant melanoma	Geldanamycin	Inhibits the function of Hsp90	BEZ-235	mTOR inhibitor	39.05215
⁷⁸	RPMI7951	Human skin malignant melanoma	Etoposide	topoisomerase II inhibitors	Geldanamycin	inhibits the function of Hsp90	43.3456
⁷⁹	SKMEL30	Cutaneous melanoma	Doxorubicin	topoisomerase II inhibitor	MK-8776	Inhibits phosphorylation at ser296-Chk1	41.24685
⁴⁰	UACC62	Human Melanoma	Geldanamycin	inhibits the function of Hsp90	BEZ-235	mTOR inhibitor	39.7059
⁸⁰	OVCAR3	Ovarian cancer	Gemcitabine	CDK inhibitor	MK-8776	Inhibits phosphorylation at ser296-Chk1	42.3738
⁸¹	A2780	Epithelial/ ovarian cancer	Gemcitabine	CDK inhibitor	Dinaciclib	CDK inhibitor	43.1521
^82,83	ES2	Ovary carcinoma	BEZ-235	mTOR inhibitor	MK-8776	Inhibits phosphorylation at ser296-Chk1	43.2467
⁸⁴	CaoV3	High-grade ovarian serous adenocarcinoma	Mitomycine	Alkylating agent, crosslink DNA	AZD1775	WEE1 activity and induces DNA damage	43.2587
⁸⁵	PA1	Ovary (Teratocarcinoma)	L778123	inhibitor of FPTase and GGPTase-I	MK-5108	Aurora A kinase inhibitor	43.4017
⁸⁶	OV90	Ovaery Malignant Papillary Serous Adenocarcinoma	AZD1775	WEE1 activity and induces DNA damage	MK-8776	Inhibit phosphorylation at ser296-Chk1	30.11825
⁸⁷	UWB1289	Ovarian carcinoma	ERLOTINIB	an epidermal growth factor receptor inhibitor	Sorafenib	Kinase inhibitor	39.3318
⁸⁸	UWB1289BRCA1	Ovarian carcinoma	Bortezomib	Inhibits the 26S proteasome, preventing the activation of NF-κB	BEZ-235	mTOR inhibitor	40.7658
⁸⁹	SKOV3	Ovarian Adenocarcinoma	AZD1775	WEE1 activity and induces DNA damage	MK-8776	Inhibits phosphorylation at ser296-Chk1	42.1901
⁹⁰	HCT116	Colorectal carcinoma	Gemcitabine	CDK inhibitors	AZD1775	Inhibit WEE1 activity and induce DNA damage	40.6917
⁹¹	COLO320DM	Colon adenocarcinoma	Methotrexate	DHFR inhibitor	Erlotinib	EGFR inhibitor	41.28255
⁸⁰	DLD1	Adenocarcinoma; Colorectal	Gemcitabine	CDK inhibitor	MK-8776	Inhibit phosphorylation at ser296-Chk1	34.00605
⁹²	HT29	Human colon adenocarcinoma cell	AZD1775	Inhibit WEE1 activity and induce DNA damage	MK-8776	Inhibits phosphorylation at ser296-Chk1	41.93325
⁹³	LOVO	Adenocarcinoma; Colorectal	AZD1775	Inhibits WEE1 activity and induces DNA damage	MK-8776	Inhibits phosphorylation at ser296-Chk1	42.70565
⁹⁴	RKO	Colon carcinoma	Vinblastine	binds to microtubular proteins in the mitotic spindle	Sorafenib	kinase inhibitor	39.98395
⁹⁵	SW620	Adenocarcinoma of the colon	Bortezomib	Inhibits the 26S proteasome, preventing the activation of NF-κB	BEZ-235	mTOR inhibitor	43.17505
⁹⁶	SW837	Human colorectal adenocarcinoma	Dasatinib	protein tyrosine kinase inhibitor	BEZ-235	mTOR inhibitor	36.07155
⁴⁰	LNCAP	Prostate adenocarcinoma	Bortezomib	Inhibits the 26S proteasome, preventing the activation of NF-κB	BEZ-235	mTOR inhibitor	42.39735
⁹⁷	VCAP	Prostate cancer	Gemcitabine	CDK inhibitor	AZD1775	WEE1 activity and induces DNA damage	40.90855
⁹⁸	OCUBM	Breast carcinoma	Gemcitabine	CDK inhibitor	AZD1775	WEE1 activity and induces DNA damage	42.46835
⁸²	T47D	Human breast cancer	MK-8669	mTOR inhibitor	BEZ-235	mTOR inhibitor	34.71975
⁸³	KPL1	Human breast cancer	MK-8669	mTOR inhibitor	BEZ-235	mTOR inhibitor	34.43505
⁹⁹	MDAMB436	Human Breast Cancer	Bortezomib	Inhibits the 26S proteasome, preventing the activation of NF-κB	Geldanamycin	Inhibits the function of Hsp90	41.08135
⁴⁶	EFM192B	Breast carcinoma	Mitomycine	Alkylating agent, crosslink DNA	ZOLINZA	HDAC inhibitor	37.10165
¹⁰⁰	SKMES1	Lung squamous cell carcinoma	Topotecan	Topoisomerase inhibitor	BEZ-235	inhibits mTOR	41.80635
^101,102	A427	Lung adenocarcinoma	AZD1775	Inhibits WEE1 activity and induces DNA damage	MK-8776	Inhibit phosphorylation at ser296-Chk1	43.352
⁶⁹	MSTO	Lung carcinoma	Vinorelbine	Tubulin inhibitors	Zolinza	HDAC inhibitor	43.3598
⁸⁰	NCIH1650	Lung carcinoma	Gemcitabine	CDK inhibitor	MK-8776	Inhibits phosphorylation at ser296-Chk1	42.68605
⁸⁰	NCIH2122	Non-small cell lung cancer	Gemcitabine	CDK inhibitor	MK-8776	Inhibit phosphorylation at ser296-Chk1	42.00935
¹⁰³	NCIH23	Human lung cancer	Zolinza	HDAC inhibitor	AZD1775	WEE1 activity and induces DNA damage	42.78825
⁴⁰	NCIH460	Large cell cancer of the lung	Geldanamycin	inhibits the function of Hsp90	BEZ-235	mTOR inhibitor	41.1219
⁴¹	NCIH520	Squamous Cell Carcinoma	MK-8669	mTOR inhibitor	BEZ-235	mTOR inhibitor	41.70995

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Table 11 Highest drug combination scores with a type of tissue cancer and drug pair information.

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