Files in koopmans-michaela/mcs-qsar
Runs MCSS on curated Hansch library

.RData
.Rbuildignore
.Rhistory
.gitignore
CTSinput.json
CTSinput2.json
DESCRIPTION
NAMESPACE
R/choosetypefctn.R R/create-lookup-add-to-internal.R R/ctsinput-script.R R/fmcsforCTS.R R/fmcsforpckg.R R/fmcslookupfctn.R R/handlejsonfctn.R R/handlesdffctn.R R/handlesmisetfctn.R R/handlesmistringfctn-forpckgfctn.R R/handlesmistringfctn.R R/importjson.R R/load-packages-dev-mcs.R R/plotmcs-test-fctn.R
R/sysdata.rda
R/test-script.R README.md
fmcs-output.csv
frag index 300.SDF
frag index 900 - smiles - no tab.smi
frag index 900 - smiles.csv
frag index 900 - smiles.smi
frag index 900 - smiles.txt
frag index 900.csv
frag index 900.sdf
man/hello.Rd
mcs-qsar.Rproj
mcsstry3 - old proj version.Rproj
output-json.csv
output-json.json
output-json.txt
output-nomatch.json
output-smiles.smi
smiles.smi
testlookup.csv
koopmans-michaela/mcs-qsar documentation built on Feb. 5, 2018, 7:36 p.m.