Table 1.

The list of investigated deep eutectic solvents (DESs) in this study and the corresponding hydrogen bond acceptor (HBA), hydrogen bond donor (HBD) and molar ratio of each.

DES #	Data Set	HBA	HBD	HBA:HBD Molar Ratio	Ndp 1	Ref.
DES1	Test	1-Ethyl-3-methylimidazolium chloride	Ethylene glycol	2:1	5	[30]
DES2	Training	1-Ethyl-3-methylimidazolium chloride	Ethylene glycol	1:1	5	[30]
DES3	Test	1-Ethyl-3-methylimidazolium chloride	Ethylene glycol	1:2	5	[30]
DES4	Training	Benzyl-tributyl-ammonium-chloride	Ethylene glycol	1:3	13	[31]
DES5	Training	Benzyl-tributyl-ammonium-chloride	Diethylene glycol	1:3	13	[31]
DES6	Training	Benzyl-tributyl-ammonium-chloride	Triethylene glycol	1:3	13	[31]
DES7	Test	Benzyl-tributyl-ammonium-chloride	Glycerol	1:3	13	[31]
DES8	Training	Benzyl-trimethyl-ammonium-chloride	Ethylene glycol	1:3	13	[31]
DES9	Training	Benzyl-trimethyl-ammonium-chloride	Diethylene glycol	1:3	13	[31]
DES10	Test	Benzyl-trimethyl-ammonium-chloride	Triethylene glycol	1:3	13	[31]
DES11	Training	Benzyl-trimethyl-ammonium-chloride	Glycerol	1:3	13	[31]
DES12	Training	Benzyl-tripropyl-ammonium-chloride	Phenol	1:3	11	[32]
DES13	Training	Benzyl-tripropyl-ammonium-chloride	Ethylene glycol	1:3	11	[32]
DES14	Training	Benzyl-tripropyl-ammonium-chloride	Lactic acid	1:3	11	[32]
DES15	Training	Benzyl-tripropyl-ammonium-chloride	Glycerol	1:3	11	[32]
DES16	Training	Betaine	Lactic acid	1:2	10	[21]
DES17	Training	Betaine	Lactic acid	1:5	11	[21]
DES18	Training	Betaine	Levulinic acid	1:2	11	[21]
DES19	Training	Betaine	Lactic acid/water	1:1:1	11	[21]
DES20	Test	Betaine	Citric acid/water	2:1:6	11	[21]
DES21	Training	Choline-Chloride	Urea	1:2	20	[33,34,35]
DES22	Test	Choline-Chloride	Ethylene glycol	1:2	13	[33,34]
DES23	Test	Choline-Chloride	Glycerol	1:2	38	[33,34,36]
DES24	Training	Choline-Chloride	Fructose	2:1	7	[34]
DES25	Test	Choline-Chloride	Glucose	2:1	7	[34]
DES26	Training	Choline-Chloride	1,2propanediol	1:3	10	[37]
DES27	Training	Choline-Chloride	Levulinic acid	1:2	11	[38]
DES28	Training	Choline-Chloride	Malonic acid	1:1	7	[39]
DES29	Test	Choline-Chloride	Glutaric acid	1:1	7	[39]
DES30	Training	Choline-Chloride	Oxalic acid	1:1	4	[40]
DES31	Training	Dodecanoic acid	Octanoic acid	1:3	11	[41]
DES32	Training	Dodecanoic acid	Decanoic acid	1:2	10	[41]
DES33	Training	Menthol	Octanoic acid	1:1	11	[41]
DES34	Training	Menthol	Decanoic acid	1:1	11	[41]
DES35	Training	Menthol	Salicylic acid	4:1	5	[42]
DES36	Test	Menthol	Camphor-10-sulfonic acid	5:1	5	[42]
DES37	Training	Menthol	Ethylene glycol	1:1	5	[42]
DES38	Test	Proline	Levulinic acid	1:2	11	[21]
DES39	Training	Proline	Lactic acid	1:1	10	[21]
Total					420

¹ Number of data points.