Table 1 Datasets

SIM

50 × 20

4 clusters with common variables for each

OV

[32]

RETSIM

(6 × 6)x100 and (6 × 6)x150

Simulated retention times of mixtures on different columns (+’fingerprints’)

OV; OOV dependent

[32]

POL_MONTH

(26 × 12)x9

Monthly air pollutant averages at 26 stations in 2017

OV; OOV dependent

[33]

POL_YEAR

(12 + 14)x9

Yearly air pollutant averages at 26 stations in 2017 (12 at Budapest, 14 at countryside)

OV; OOV independent

[33]

FLASHP1

420 × 26 for ANN model (N = 4,6,8,10 hidden neurons), 80 objects in the test set

Flash point estimation of molecules using different QSAR parameters

OV: 80 × 26 (test objects-variables); 26xN (variables neuron weights); Nx80 (neurons, object activities on the neurons)

[29, 34]

DR8

600 × 28 for ANN model (N = 10–15 neurons), 114 objects in the test set

Different QSAR parameters originally used to estimate toxicity

OV: 114 × 28 (test objects-variables); 28xN (variables-neuron weights); Nx114 (neurons-object activities on the neurons);

OVV independent 114x(N + 28) (objects, neuron activities, original variables)

[29, 35]

FLASHP2

632 × (13 + 12), for ANN models (N = 10–15 neurons), 100 object in the test set

13 molecular and 12 general descriptors of molecules originally used for flash point estimation

OV of 100 × 25, 100 × 13, 100 × 12;

OVV 100 × (13 + 12); OVV 114x(N + 28) (objects, neuron activities, original variables)

[29, 36]

POLMET_DAY

56 × (7 + 6), subset of original, two weeks from each season (56 days)

Daily meterological and airpollutant data set in 2007

OV: 56 × 13, 56 × 7, 56 × 6; 3D OVV: 56 × (7 + 6)

[37]

ESSOIL

10 × (10 + 38)

Essential oils in 10 species, 10 chemical and 38 bactericid/fungicide data

OV: 10 × 48, 48 × 10;

3D OVV: 10 × (10 + 38)

[8]

CERAMIC

88 × 17

Ceramics with body and glaze data

OV

[31, 38]

GLASS

214 × 9

Composition of glasses from different sources

OV

[30, 31, 39]

WINE

178 × 13

Wine analysis

OV

[30, 40]

TOXIC

112 × 8

Toxic on 8 data

OV

[41]

SAND

30 × 14

Sand data radiation

OV

[42]

MOLDESCRg

500 × 50

more subsets of the original

Molecular descriptors for enormous number of molecules to calculate different properties

OV

[29, 43]

COIN

257 × 10

Composition of ancient coins from different era of Hungary

OV

[44,45,46]

REAC

95 × 32

Fuel combustion with reactions and reactants

OV

[32, 47]