3 votes

How to convert amino acid sequence to SMILES format

SMILES are meant for machines, but reading up on the format is very handy and one totally can read and write them —I do it often and could not recommend it enough. You can have SMILES written ...
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  • 3,469
3 votes

general cheminformatics references

The definition of cheminformatics has been covered in Difference between bioinformatics and cheminformatics For a reference, simply citing Essentials of Computational Chemistry by C. Cramer will do ...
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3 votes

How to download the whole genome of an organism from NCBI using R or Python?

I'd suggest the bit-dl-ncbi-assemblies from the Bioinformatics Tools package. ...
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1 vote
Accepted

Parsing pre-2007 SMILES string

I couldn't find a way to directly convert these SMILES strings to a more canonical format. However, thanks to @Matteo Ferla, I was able to get around the problem entirely by looking up the chemical ...
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