How to make a tanimoto distance matrix for all molecules in a chemical spreadsheet.

[Andrew Orry]

Q. 

How to make a tanimoto distance matrix for all molecules in a chemical spreadsheet.

A.

You can use the Distance function http://www.molsoft.com/man/icm-functions.html#Distance-Tanimoto

e.g.

#for a table called t

dmt = Distance( t.mol )

# then if you want to export it in CSV or some other format use:

write table separator="," Table(dmt) "dmt.csv"