db.explain {ChemmineR} | R Documentation

## Explain an atom-pair descriptor or an array of atom-pair descriptors

### Description

'db.explain' will take an atom-pair descriptor in numeric or a set of such descriptors, and interpret what they represent in a more human readable way.

### Usage

    db.explain(desc)

### Arguments

`desc` | The descriptor or the array/vector of descriptors

### Details

'desc' can be a single numeric giving a single descriptor or can be any container data type, such as vector or array, such that 'length(desc)' returns 2 or larger.

### Value

Return a character vector describing the descriptors.

### See Also

`cmp.parse`

### Examples

    ## Load sample SD file
    # data(sdfsample); sdfset <- sdfsample

    ## Generate atom pair descriptor database for searching
    # apset <- sdf2ap(sdfset)

    ## Loads same atom pair sample data set provided by library
    data(apset)
    db <- apset

    ## Return atom pairs of first compound in human readable format
    db.explain(db[1])

[Package ChemmineR version 3.32.1 Index]