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### R code from vignette source 'CNORfeeder-vignette.Rnw'
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### code chunk number 1: installBio (eval = FALSE)
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## source("http://bioconductor.org/biocLite.R")
## biocLite(c("RBGL","graph","minet","CellNOptR","igraph","catnet"))
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### code chunk number 2: installPackage (eval = FALSE)
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## source("http://bioconductor.org/biocLite.R")
## biocLite("CNORfeeder")
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### code chunk number 3: installPackage2 (eval = FALSE)
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## install.packages("path_to_CNORfeeder/CNORfeeder_1.0.0.tar.gz",
## repos=NULL, type="source")
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### code chunk number 4: loadLib (eval = FALSE)
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## library(CNORfeeder)
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### code chunk number 5: getData (eval = FALSE)
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## # load the data already formatted as CNOlist
## data(CNOlistDREAM,package="CellNOptR")
## # load the model (PKN) already in the CNO format
## data(DreamModel,package="CellNOptR")
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### code chunk number 6: getData (eval = FALSE)
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## BTable <- makeBTables(CNOlist=CNOlistDREAM, k=2, measErr=c(0.1, 0))
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### code chunk number 7: linkRank (eval = FALSE)
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## Lrank <- linksRanking(CNOlist=CNOlistDREAM, measErr=c(0.1, 0), savefile=FALSE)
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### code chunk number 8: getData (eval = FALSE)
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## model<-preprocessing(data=CNOlistDREAM, model=DreamModel)
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### code chunk number 9: integration (eval = FALSE)
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## modelIntegr <- mapBTables2model(BTable=BTable,model=model,allInter=TRUE)
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### code chunk number 10: integLinks (eval = FALSE)
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## modelIntegr$reacID[modelIntegr$indexIntegr]
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### code chunk number 11: plotData (eval = FALSE)
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## plotModel(model=modelIntegr, CNOlist=CNOlistDREAM, indexIntegr=modelIntegr$indexIntegr)
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### code chunk number 12: weight (eval = FALSE)
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## modelIntegrWeight <- weighting(modelIntegr=modelIntegr, PKNmodel=DreamModel,
## CNOlist=CNOlistDREAM, integrFac=10)
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### code chunk number 13: weightPPI (eval = FALSE)
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## data(PPINigraph,package="CNORfeeder")
## data(UniprotIDdream,package="CNORfeeder")
## modelIntegrWeight <- weighting(modelIntegr=modelIntegr, PKNmodel=DreamModel,
## CNOlist=CNOlistDREAM, integrFac=10,
## UniprotID=UniprotIDdream, PPI=PPINigraph)
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### code chunk number 14: train (eval = FALSE)
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## # training to data using genetic algorithm (run longer to obtain better results)
## DreamT1opt<-gaBinaryT1W(CNOlist=CNOlistDREAM, model=modelIntegrWeight,
## maxGens=2, popSize=5, verbose=FALSE)
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### code chunk number 15: results (eval = FALSE)
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## # model
## plotModel(model=modelIntegrWeight, CNOlist=CNOlistDREAM, bString=DreamT1opt$bString)
## # data
## cutAndPlotResultsT1(model=modelIntegrWeight, CNOlist=CNOlistDREAM,
## bString=DreamT1opt$bString)
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### code chunk number 16: results (eval = FALSE)
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## # loading the necessary packages
## library(CellNOptR)
## library(MEIGOR)
## library(CNORode)
## library(doParallel)
## library(readr)
## library(infotheo)
## library(igraph)
## library(OmnipathR)
## library(CNORfeeder)
##
## # loading the model
## data(ToyModel_Gene, package="CNORfeeder")
## # loading the data
## data(CNOlistToy_Gene, package="CNORfeeder")
## # plotting the model and the data
## plotModel(model = model, CNOlist = cnolist)
## plotCNOlist(CNOlist = cnolist)
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### code chunk number 17: results (eval = FALSE)
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## ## Loading database
## data(database, package="CNORfeeder")
## ## Alternatively, users can download the database from Omnipath and retain only
## ## activatory/inhibitory interactions as shown below.
## ## Please note that OmniPath is in continuous update and new links are
## ## continuously added
##
## # interactions <- import_Omnipath_Interactions(filter_databases=
## # c("SignaLink3",
## # "PhosphoSite",
## # "Signor"))
## # interactions = interactions[which(interactions$is_stimulation+interactions$is_inhibition==1), ]
## # database = matrix(data = , nrow = nrow(interactions), ncol = 3)
## # database[, 1] = interactions$source_genesymbol
## # database[which(interactions$is_stimulation==1), 2] = "1"
## # database[which(interactions$is_inhibition==1), 2] = "-1"
## # database[, 3] = interactions$target_genesymbol
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### code chunk number 18: results (eval = FALSE)
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## # set initial parameters (here parameters k and tau are optimised and n fixed to 3)
## ode_parameters=createLBodeContPars(model, LB_n = 1, LB_k = 0,
## LB_tau = 0, UB_n = 3, UB_k = 1,
## UB_tau = 1, default_n = 3,
## default_k = 0.5, default_tau = 0.01,
## opt_n = FALSE, opt_k = TRUE,
## opt_tau = TRUE, random = TRUE)
## ## Parameter Optimization
## # essm
## paramsSSm=defaultParametersSSm()
## paramsSSm$local_solver = "DHC"
## paramsSSm$maxtime = 60;
## paramsSSm$maxeval = Inf;
## paramsSSm$atol=1e-6;
## paramsSSm$reltol=1e-6;
## paramsSSm$nan_fac=1000;
## paramsSSm$dim_refset=30;
## paramsSSm$n_diverse=1000;
## paramsSSm$maxStepSize=Inf;
## paramsSSm$maxNumSteps=10000;
## paramsSSm$transfer_function = 4;
## paramsSSm$lambda_tau=0.1
## paramsSSm$lambda_k=0.01
## paramsSSm$bootstrap=F
## paramsSSm$SSpenalty_fac=0
## paramsSSm$SScontrolPenalty_fac=0
## ## Training of the initial model
## opt_pars=parEstimationLBode(cnolist, model, method="essm",
## ode_parameters=ode_parameters, paramsSSm=paramsSSm)
## simData = plotLBodeFitness(cnolist = cnolist, model = model,
## ode_parameters = opt_pars, transfer_function = 4)
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### code chunk number 19: results (eval = FALSE)
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## # Identifying the mis-fits (measurements with mse worse than 0.05)
## indices = identifyMisfitIndices(cnolist = cnolist, model = model,
## simData = simData, mseThresh = 0.05)
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### code chunk number 20: results (eval = FALSE)
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## # Identifying the mis-fits (measurements with mse worse than 0.05)
## indices = identifyMisfitIndices(cnolist = cnolist, model = model, simData = NULL)
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### code chunk number 21: results (eval = FALSE)
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## # interactions from the database and from the FEED algorithm which we want to integrate
## feederObject = buildFeederObjectDynamic(model = model, cnolist = cnolist,
## indices = indices, database = database,
## DDN = TRUE, pathLength = 2) # max path-length=2
## # for database search
##
## integratedModel = integrateLinks(feederObject = feederObject, cnolist = cnolist,
## database = database)
##
## plotModel(model = integratedModel$model, CNOlist = cnolist,
## indexIntegr = integratedModel$integLinksIdx)
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### code chunk number 22: results (eval = FALSE)
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## # interactions from the database and from the FEED algorithm which we want to integrate
## ode_parameters=createLBodeContPars(integratedModel$model, LB_n = 1,
## LB_k = 0, LB_tau = 0, UB_n = 3,
## UB_k = 1, UB_tau = 1, default_n = 3,
## default_k = 0.5, default_tau = 0.01,
## opt_n = FALSE, opt_k = TRUE,
## opt_tau = TRUE, random = TRUE)
##
## res1 = runDynamicFeeder(cnolist = cnolist, integratedModel = integratedModel,
## ode_parameters = ode_parameters, paramsSSm = paramsSSm,
## penFactor_k = 2, penFactorPIN_k = 0.1, penFactor_tau = 1)
##
## plotLBodeFitness(cnolist = res1$CNOList, model = res1$`Integrated-Model`$model,
## ode_parameters = res1$Parameters, transfer_function = 4)
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### code chunk number 23: results (eval = FALSE)
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## # interactions from the database and from the FEED algorithm which we want to integrate
## ode_parameters=createLBodeContPars(integratedModel$model, LB_n = 1,
## LB_k = 0, LB_tau = 0, UB_n = 3,
## UB_k = 1, UB_tau = 1, default_n = 3,
## default_k = 0.5, default_tau = 0.01,
## opt_n = FALSE, opt_k = TRUE,
## opt_tau = TRUE, random = TRUE)
##
## res2 = runDynamicFeeder(cnolist = cnolist, integratedModel = integratedModel,
## ode_parameters = ode_parameters, paramsSSm = paramsSSm,
## penFactor_k = 10000, penFactorPIN_k = 10000,
## penFactor_tau = 10000)
##
## plotLBodeFitness(cnolist = res2$CNOList, model = res2$`Integrated-Model`$model,
## ode_parameters = res2$Parameters, transfer_function = 4)
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