KCF-S distribution ver0.1 : KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics. See the original paper at https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4029371/
How to generate KCF-S integer vectors from molfile
Step 1: From molfile to KCF
Please refer to the GenomeNet webpage
http://www.genome.jp/tools/gn_tools_api.html
Step 2: From KCF to KCF-S
ruby makekcfs.rb kcf-file > kcfs-file
Step 3: Generate columns
ruby kcfs2count.rb kcfs-file > count-file
Step 4: From KCF-S to KCF-S vector
ruby makekcfsd.rb count-file kcfs-file > kcfsd-file