soldat {ada}R Documentation

Solubility Data

Description

A data set that contains information about compounds used in drug discovery. Specifically, this data set consists of 5631 compounds on which an in-house solubility screen (ability of a compound to dissolve in a water/solvent mixture) was performed.

Based on this screen, compounds were categorized as either insoluble (n=3493) or soluble (n=2138). Then, for each compound, 72 continuous, noisy structural descriptors were computed.

Usage

data(soldat)

Format

A data frame with 5631 observations on the following 73 variables.

x1

a numeric vector

x2

a numeric vector

x3

a numeric vector

x4

a numeric vector

x5

a numeric vector

x6

a numeric vector

x7

a numeric vector

x8

a numeric vector

x9

a numeric vector

x10

a numeric vector

x11

a numeric vector

x12

a numeric vector

x13

a numeric vector

x14

a numeric vector

x15

a numeric vector

x16

a numeric vector

x17

a numeric vector

x18

a numeric vector

x19

a numeric vector

x20

a numeric vector

x21

a numeric vector

x22

a numeric vector

x23

a numeric vector

x24

a numeric vector

x25

a numeric vector

x26

a numeric vector

x27

a numeric vector

x28

a numeric vector

x29

a numeric vector

x30

a numeric vector

x31

a numeric vector

x32

a numeric vector

x33

a numeric vector

x34

a numeric vector

x35

a numeric vector

x36

a numeric vector

x37

a numeric vector

x38

a numeric vector

x39

a numeric vector

x40

a numeric vector

x41

a numeric vector

x42

a numeric vector

x43

a numeric vector

x44

a numeric vector

x45

a numeric vector

x46

a numeric vector

x47

a numeric vector

x48

a numeric vector

x49

a numeric vector

x50

a numeric vector

x51

a numeric vector

x52

a numeric vector

x53

a numeric vector

x54

a numeric vector

x55

a numeric vector

x56

a numeric vector

x57

a numeric vector

x58

a numeric vector

x59

a numeric vector

x60

a numeric vector

x61

a numeric vector

x62

a numeric vector

x63

a numeric vector

x64

a numeric vector

x65

a numeric vector

x66

a numeric vector

x67

a numeric vector

x68

a numeric vector

x69

a numeric vector

x70

a numeric vector

x71

a numeric vector

x72

a numeric vector with missing data

y

a numeric vector

Examples

     data(soldat)

[Package ada version 2.0-2 Index]