Таблица 1. Одиночные и консенсусные AMP и LoReP модели растворимости в воде 2615 кристаллических соединений.

Method

Tc

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