db.subset {ChemmineR} | R Documentation

## Subset a descriptor database and return a sub-database for the selected compounds

### Description

'db.subset' will take a descriptor database generated by 'cmp.parse' and an array of indecies, and return a new database for compounds corresponding to these indecies. The returned value is a descriptor database as returned by the `cmp.parse` function.

### Usage

    db.subset(db, cmps)

### Arguments

`db` | The database generated by 'cmp.parse'
`cmps` | An array of indecies that correspond to a set of selected compounds from the database

### Details

'db.subset' creates a sub-database from 'db' by only including infomration that is relevant to compounds indexed by 'cmps'.

### Value

Return a descriptor database for the selected compounds. The format of the database is compatible with the one returned by `cmp.parse`.

### See Also

`cmp.parse`, `sdf.subset`

### Examples

    ## Note: this functionality has become obsolete since the introduction of the
    ## 'apset' S4 class.

    ## 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
    olddb <- apset2descdb(db)

    ## Create a sub-database for the 1st and 2nd compound in that SDF
    db_sub <- db.subset(olddb, c(1, 2))

[Package ChemmineR version 3.40.0 Index]