Skip to main content

Table 1 Mean Absolute Error (calculated by 10-fold cross-validation) in the prediction of log K t:p value by different decision tree-based regression methods, for each tissue, in K t:p -target dataset (with 110 compounds)

From: Predicting volume of distribution with decision tree-based regression methods using predicted tissue:plasma partition coefficients

Tissue

M5P-4

M5P-6

M5P-8

M5P-10

M5P-RegTree

REP-Tree

M5-Rules

Bagging (M5P)

muscle

0.3029

0.3040

0.3164

0.2950

0.3384

0.3857

0.3172

0.3228

brain

0.4695

0.4797

0.4869

0.4768

0.5387

0.5347

0.5170

0.4613

intestine

0.5939

0.4700

0.5337

0.5245

0.4523

0.4698

0.6060

0.5361

lung

0.4549

0.4812

0.4755

0.4776

0.5710

0.5522

0.5114

0.4822

spleen

0.9824

1.0069

1.0276

1.0206

0.8149

0.7997

0.8783

0.7857

heart

0.3391

0.3076

0.2991

0.3321

0.3562

0.4116

0.3723

0.3358

skin

0.2844

0.2752

0.2954

0.2666

0.3436

0.3433

0.2782

0.2961

bone

0.6210

0.7101

0.5893

0.5735

0.5109

0.5847

0.5724

0.4762

adipose

0.3581

0.4106

0.4186

0.4005

0.4557

0.5268

0.4031

0.3214

kidneys

0.2848

0.2706

0.2756

0.2736

0.3226

0.4035

0.2913

0.2281

liver

0.5495

0.5634

0.5036

0.5091

0.4925

0.5569

0.5879

0.4608

gut

0.6484

0.6134

0.6056

0.4905

0.4695

0.3912

0.4135

0.3169

thymus

0.3943

0.3599

0.3667

0.3601

0.2633

0.2176

0.3529

0.2623