API for girke-lab/ChemmineR-release
Cheminformatics Toolkit for R

Global functions
AP-class Man page
APset-class Man page
DUD Man page Source code
DrugBank Man page Source code
ExtSDF-class Man page
FP-class Man page
FPset-class Man page
MF Man page Source code
MW Man page Source code
RSWIG_createNewRef Source code
R_SWIG_addCallbackFunctionStack Source code
R_SWIG_getCallbackFunctionStack Source code
SDF-class Man page
SDF2apcmp Man page Source code
SDFset Man page Source code
SDFset-class Man page
SDFset2SDF Man page
SDFset2SDF,SDFset-method Man page
SDFset2SDF-methods Man page
SDFset2SDF<- Man page
SDFset2SDF<-,SDFset-method Man page
SDFset2list Man page
SDFset2list,SDFset-method Man page
SDFset2list-methods Man page
SDFstr-class Man page
SMI-class Man page
SMIset-class Man page
[,APset-method Man page
[,FPset-method Man page
[,SDF-method Man page
[,SDFset-method Man page
[,SDFstr-method Man page
[,SMIset-method Man page
[<-,APset-method Man page
[<-,FPset-method Man page
[<-,SDF-method Man page
[<-,SDFset-method Man page
[<-,SDFstr-method Man page
[<-,SMIset-method Man page
[[,APset-method Man page
[[,FPset-method Man page
[[,SDF-method Man page
[[,SDFset-method Man page
[[,SDFstr-method Man page
[[,SMIset-method Man page
[[<-,APset-method Man page
[[<-,SDF-method Man page
[[<-,SDFset-method Man page
[[<-,SDFstr-method Man page
addDescriptorType Man page Source code
addNeededFeatures Source code
addNewFeatures Man page Source code
ap Man page
ap,AP-method Man page
ap,APset-method Man page
ap-methods Man page
apfp Man page
applyOptions Source code
apset Man page
apset2descdb Man page Source code
as.character,FP-method Man page
as.character,FPset-method Man page
as.character,SMI-method Man page
as.character,SMIset-method Man page
as.matrix,FPset-method Man page
as.numeric,FP-method Man page
as.vector,FP-method Man page
assert Source code
atomblock Man page
atomblock,SDF-method Man page
atomblock,SDFset-method Man page
atomblock-methods Man page
atomblock<- Man page
atomblock<-,SDFset-method Man page
atomcount Man page
atomcount,SDF-method Man page
atomcount,SDFset-method Man page
atomcountMA Man page Source code
atomprop Man page
atomsubset Man page Source code
batchByIndex Man page Source code
bondblock Man page
bondblock,SDF-method Man page
bondblock,SDFset-method Man page
bondblock-methods Man page
bondblock<- Man page
bondblock<-,SDFset-method Man page
bonds Man page Source code
browseJob Man page Source code
bufferLines Man page Source code
bufferResultSet Man page Source code
byCluster Man page Source code
c,APset-method Man page
c,FP-method Man page
c,FPset-method Man page
c,SDFset-method Man page
c,SMIset-method Man page
calc.distmat Source code
canonicalNumbering Man page
canonicalNumberingOB Source code
canonicalize Man page
canonicalizeOB Source code
cid Man page
cid,APset-method Man page
cid,FPset-method Man page
cid,SDFset-method Man page
cid,SMIset-method Man page
cid<- Man page
cid<-,APset-method Man page
cid<-,FPset-method Man page
cid<-,SDFset-method Man page
cid<-,SMIset-method Man page
cluster.sizestat Man page Source code
cluster.visualize Man page Source code
cluster_g Source code
cmp.cluster Man page Source code
cmp.duplicated Man page Source code
cmp.parse Man page Source code
cmp.parse1 Man page Source code
cmp.search Man page Source code
cmp.similarity Man page Source code Source code
coerce,APset,AP-method Man page
coerce,APset,list-method Man page
coerce,FPset,FP-method Man page Man page
coerce,SDF,SDFset-method Man page
coerce,SDF,SDFstr-method Man page
coerce,SDF,character-method Man page
coerce,SDF,list-method Man page
coerce,SDFset,SDF-method Man page
coerce,SDFset,SDFstr-method Man page
coerce,SDFset,list-method Man page
coerce,SDFstr,SDFset-method Man page
coerce,SDFstr,list-method Man page
coerce,SMIset,SMI-method Man page
coerce,character,FPset-method Man page
coerce,character,SDF-method Man page
coerce,character,SDFstr-method Man page
coerce,character,SMI-method Man page
coerce,character,SMIset-method Man page
coerce,list,APset-method Man page
coerce,list,SDF-method Man page
coerce,list,SDFset-method Man page
coerce,list,SDFstr-method Man page
coerce,list,SMIset-method Man page
coerce,matrix,FPset-method Man page
coerce,numeric,FP-method Man page
coerceIfNotSubclass Source code
conMA Man page Source code
concatenate_plots Source code
convertInput Source code
convertOutput Source code
createFeature Source code
cstrsplit Source code
cyclicCore Source code
data.frame.to.str Source code
datablock Man page
datablock,SDF-method Man page
datablock,SDFset-method Man page
datablock-methods Man page
datablock2ma Man page Source code
datablock<- Man page
datablock<-,SDFset-method Man page
datablocktag Man page
datablocktag,SDF-method Man page
datablocktag,SDFset-method Man page
db.explain Man page Source code
db.subset Man page Source code
dbGetQueryChecked Source code
dbOp Source code
dbTransaction Man page Source code
default_edge_policy Source code
default_node_policy Source code
definition2SDFset Source code
definitionChecksums Source code
deleteCompounds Source code
desc2fp Man page Source code
descriptorTypes Source code
draw_sdf Man page Source code
enableForeignKeys Source code
ensureOB Source code
enumFromInteger Source code
enumToInteger Source code
ex2vec Source code
exactMassOB Man page Source code
explain Source code
extract_single_sdf Source code
factor_to_vector Source code
featureDiff Source code
findCompounds Man page Source code
findCompoundsByChecksum Source code
findCompoundsByName Man page Source code
findCompoundsByX Source code
findPositions Source code
fingerprintOB Man page Source code
fold Man page
fold,FP-method Man page
fold,FPset-method Man page
foldCount Man page
foldCount,FP-method Man page
foldCount,FPset-method Man page
foldVector Source code
foldsNeeded Source code
forestSizePriorities Man page Source code
fp2bit Man page Source code
fpSim Man page Source code
fpSimOrig Source code
fptype Man page
fptype,FP-method Man page
fptype,FPset-method Man page
fromNNMatrix Man page Source code
genAPDescriptors Man page Source code
genParameters Man page Source code
generate3DCoords Man page
generate3DCoordsOB Source code
getAllCompoundIds Man page Source code
getAtomAttr,ExtSDF-method Man page
getBondAttr,ExtSDF-method Man page
getCompoundFeatures Man page Source code
getCompoundNames Man page Source code
getCompounds Man page Source code
getDbConn Source code
getIds Man page Source code
grepSDFset Man page Source code
groups Man page Source code
gsubsdfsec Source code
handle_raster Source code
handle_segs Source code
handle_text Source code
haveOB Source code
header Man page
header,SDF-method Man page
header,SDFset-method Man page
header-methods Man page
header<- Man page
header<-,SDFset-method Man page
indexExistingCompounds Source code
initDb Man page Source code
insertDef Source code
insertDescriptor Source code
insertDescriptorType Source code
insertFeature Source code
insertNamedDef Source code
insertUserFeatures Source code
jarvisPatrick Man page Source code
jarvisPatrick_c Man page Source code
jobToken-class Man page
launchCMTool Man page Source code
length,APset-method Man page
length,FPset-method Man page
length,SDFset-method Man page
length,SDFstr-method Man page
length,SMIset-method Man page
linearCon Source code
listCMTools Man page Source code
listFeatures Man page Source code
load.file.backed.desc Source code
loadDb Source code
loadDescriptors Source code
loadSdf Man page Source code
loadSmiles Man page Source code
makeUnique Man page Source code
maximallyDissimilar Man page Source code
nearestNeighbors Man page Source code
neighbors Source code
nterpret_atom Source code
numBits Man page
numBits,FP-method Man page
numBits,FPset-method Man page
obmol Man page
obmol,SDF-method Man page
obmol,SDFset-method Man page
obmol-methods Man page
onLoad Source code
parBatchByIndex Man page Source code
parseAttributes Source code
parseV3000 Source code
plot Man page
plot,SDF-method Man page
plot,SDFset-method Man page
plotStruc Man page Source code
postToHost Source code
postgresqlWriteTable Source code
processAndLoad Source code
progress_bar Source code
propOB Man page Source code
pubchemFPencoding Man page
randomPriorities Man page Source code
read.AP Man page Source code
read.SDFindex Man page Source code
read.SDFset Man page Source code
read.SDFstr Man page Source code
read.SMIset Man page Source code
read.one.sdf Source code
regenCoordsOB Source code
regenerateCoords Man page
result Man page Source code
rings Man page Source code Source code
rmDups Source code
s.arom Source code
s.file.backed.desc Source code
s.inner Source code
sdf.subset Man page Source code
sdf.visualize Man page Source code
sdf2OBMol Source code
sdf2ap Man page Source code
sdf2list Man page
sdf2list,SDF-method Man page
sdf2smiles Man page
sdf2smilesOB Man page Source code
sdf2smilesWeb Source code
sdf2str Man page
sdf2str,SDF-method Man page
sdf2str-methods Man page
sdfDownload Source code
sdfParse Source code
sdfSet2definition Source code
sdfStream Man page Source code
sdfid Man page
sdfid,SDF-method Man page
sdfid,SDFset-method Man page
sdfsample Man page
sdfstr2list Man page
sdfstr2list,SDFstr-method Man page
sdfstr2list-methods Man page
sdfstr2list<- Man page
sdfstr2list<-,SDFstr-method Man page
search.nearest Source code
searchSim Man page Source code
searchString Man page Source code
selectInBatches Man page Source code
setPriorities Man page Source code
show,AP-method Man page
show,APset-method Man page
show,ExtSDF-method Man page
show,FP-method Man page
show,FPset-method Man page
show,SDF-method Man page
show,SDFset-method Man page
show,SDFstr-method Man page
show,SMI-method Man page
show,SMIset-method Man page
show,jobToken-method Man page
smartsSearchOB Man page Source code
smile2sdfFile Source code
smiles2sdf Man page
smiles2sdfOB Man page Source code
smiles2sdfWeb Source code
smisample Man page
splitNumChar Man page Source code
status Man page Source code
toolDetails Man page Source code
trim Source code
trimNeighbors Man page Source code
uniquifyAtomPairs Source code
update Source code
updatePriorities Source code
validSDF Man page Source code
view Man page
view,APset-method Man page
view,FPset-method Man page
view,SDFset-method Man page
view,SMIset-method Man page
view-methods Man page
write.SDF Man page Source code
write.SDFsplit Man page Source code
write.SMI Man page Source code
girke-lab/ChemmineR-release documentation built on May 14, 2017, 10:56 a.m.