User: josephjmcdonald

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Rcpi issue - ChemmineOB Fp4 fingerprints
... Having difficulties generating fingerprints from Rcpi tutorial. any assistance would be greatly appreciated. From section 3.2 of Rcpi manual, the following steps are successful: > require(Rcpi) > fdamdd.smi=system.file('vignettedata/FDAMDD.smi',package='Rcpi') > x.smi=readMolFromSmi(fdamd ...
chemmineob fingerprint fp4 rcpi written 3.7 years ago by josephjmcdonald0 • updated 2.6 years ago by Nan Xiao0

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