e00060 Table 1.

Table 1. The simple and consensus AMP and LoReP models of solubility in water of 2,615 crystalline compounds.

Method

T_c

Descriptors

N

R²

SD

a₀ ± err₀

a₁ ± err₁

AMP

0

AlogP

2609

0.823

0.96

0.09 ± 0.04

1.03 ± 0.01

α

2609

0.805

1.00

0.05 ± 0.04

1.03 ± 0.01

α, AlogP

2613

0.825

0.95

0.11 ± 0.04

1.04 ± 0.01

0.3

α

1886

0.859

0.85

0.09 ± 0.04

1.02 ± 0.01

AlogP

1914

0.849

0.89

0.10 ± 0.04

1.02 ± 0.01

α, AlogP

2069

0.854

0.87

0.13 ± 0.04

1.03 ± 0.01

0.5

AlogP

907

0.922

0.71

0.19 ± 0.05

1.03 ± 0.01

α

862

0.921

0.72

0.11 ± 0.05

1.02 ± 0.01

α, AlogP

1020

0.917

0.72

0.21 ± 0.05

1.03 ± 0.01

LoReP

0

AlogP

2609

0.842

0.90

-0.03 ± 0.04

1.00 ± 0.01

α

2609

0.827

0.94

-0.07 ± 0.04

1.00 ± 0.01

α, AlogP

2613

0.855

0.86

0.02 ± 0.03

1.02 ± 0.01

0.3

α

1886

0.878

0.79

0.00 ± 0.04

1.00 ± 0.01

AlogP

1914

0.871

0.82

0.02 ± 0.04

1.01 ± 0.01

α AlogP

2069

0.867

0.83

-0.05 ± 0.04

1.00 ± 0.01

0.5

α, AlogP

862

0.935

0.65

0.04 ± 0.05

1.01 ± 0.01

AlogP

907

0.935

0.65

0.10 ± 0.04

1.02 ± 0.01

Method	T_c	Descriptors	N	R²	SD	a₀ ± err₀	a₁ ± err₁
AMP	0	AlogP	2609	0.823	0.96	0.09 ± 0.04	1.03 ± 0.01
		α	2609	0.805	1.00	0.05 ± 0.04	1.03 ± 0.01
		α, AlogP	2613	0.825	0.95	0.11 ± 0.04	1.04 ± 0.01
	0.3	α	1886	0.859	0.85	0.09 ± 0.04	1.02 ± 0.01
		AlogP	1914	0.849	0.89	0.10 ± 0.04	1.02 ± 0.01
		α, AlogP	2069	0.854	0.87	0.13 ± 0.04	1.03 ± 0.01
	0.5	AlogP	907	0.922	0.71	0.19 ± 0.05	1.03 ± 0.01
		α	862	0.921	0.72	0.11 ± 0.05	1.02 ± 0.01
		α, AlogP	1020	0.917	0.72	0.21 ± 0.05	1.03 ± 0.01
LoReP	0	AlogP	2609	0.842	0.90	-0.03 ± 0.04	1.00 ± 0.01
		α	2609	0.827	0.94	-0.07 ± 0.04	1.00 ± 0.01
		α, AlogP	2613	0.855	0.86	0.02 ± 0.03	1.02 ± 0.01
	0.3	α	1886	0.878	0.79	0.00 ± 0.04	1.00 ± 0.01
		AlogP	1914	0.871	0.82	0.02 ± 0.04	1.01 ± 0.01
		α AlogP	2069	0.867	0.83	-0.05 ± 0.04	1.00 ± 0.01
	0.5	α, AlogP	862	0.935	0.65	0.04 ± 0.05	1.01 ± 0.01
	0.5	AlogP	907	0.935	0.65	0.10 ± 0.04	1.02 ± 0.01