Description Usage Arguments Examples
Generate SMILES strings from an extended N-gram model
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nsmis |
is the number of SMILES strings to generate |
engram |
is an ENgram object |
order |
n in the ENgram model |
gentype |
is the type of the procedure used by the SMILES strings generator. For a Back-off procedure, use "ML" (by default), and for a Neaser-Nay smoothing procedure, use "KN". |
crange |
is the range of lengths, defined in a colum vector, required for the output SMILES strings (from 5 to 10 characters by default) |
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