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Table 9 Results of the inference phase for the dataset Phys

From: A unified approach to inferring chemical compounds with the desired aqueous solubility

Inst.

\(n_{\text{LB}} \)

\( \underline{y^*},~\overline{y^*} \)

\(\#\)

\(\#\)c  

I-time

n

\(\eta (f({\mathbb {C}}^{\dagger }))\)

\(I_{\text{a}}\)

30

\(-7.8, -7.75\)

10880

9749

376.331

45

\(-7.755\)

\(I_{\text{b}}^1\)

35

0.15, 0.2

14467

7855

214.926

35

0.191

\(I_{\text{b}}^2\)

45

0.52, 0.57

18326

10970

1165.992

50

0.562

\(I_{\text{b}}^3\)

45

\(-3.6, -3.55 \)

18166

10971

322.07

50

\(-3.57\)

\(I_{\text{b}}^4\)

45

0.01, 0.06

18000

10968

276.396

45

0.029

\(I_{\text{c}}\)

50

\(-5.47, -5.42\)

6987

7680

10.644

50

\(-5.436\)

\(I_{\text{d}}\)

40

\(-2.25, -2.2\)

5610

7185

68.318

41

\(-2.235\)