SDF2apcmp {ChemmineR} | R Documentation

## `SDF` to `list` for AP generation

### Description

Returns `SDF` class as `list` containing the components for generating atom pair descriptors.

### Usage

    SDF2apcmp(SDF)

### Arguments

`SDF` | `SDF`

### Details

...

### Value

`list` | with atom and bond components

### Author(s)

Thomas Girke

### References

Chen X and Reynolds CH (2002). "Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients", J Chem Inf Comput Sci.

### See Also

Functions: `sdf2ap`, `apset2descdb`, `cmp.search`, `cmp.similarity`

### Examples

    ## Instances of SDFset class
    data(sdfsample)
    sdf <- sdfsample[[1]]

    ## Return list
    cmp <- SDF2apcmp(sdf)

[Package ChemmineR version 3.36.0 Index]