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CHECK report for BioMedR on tokay1

This page was generated on 2018-04-12 13:30:57 -0400 (Thu, 12 Apr 2018).

Package 134/1472HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
BioMedR 1.2.0
Min-feng Zhu
Snapshot Date: 2018-04-11 16:45:18 -0400 (Wed, 11 Apr 2018)
URL: https://git.bioconductor.org/packages/BioMedR
Branch: RELEASE_3_6
Last Commit: c53e5bd
Last Changed Date: 2017-10-30 12:41:27 -0400 (Mon, 30 Oct 2017)
malbec1 Linux (Ubuntu 16.04.1 LTS) / x86_64  NotNeeded  OK  ERROR 
tokay1 Windows Server 2012 R2 Standard / x64  NotNeeded  OK [ ERROR ] OK 
veracruz1 OS X 10.11.6 El Capitan / x86_64  NotNeeded  OK  ERROR  OK 

Summary

Package: BioMedR
Version: 1.2.0
Command: rm -rf BioMedR.buildbin-libdir BioMedR.Rcheck && mkdir BioMedR.buildbin-libdir BioMedR.Rcheck && C:\Users\biocbuild\bbs-3.6-bioc\R\bin\R.exe CMD INSTALL --build --merge-multiarch --library=BioMedR.buildbin-libdir BioMedR_1.2.0.tar.gz >BioMedR.Rcheck\00install.out 2>&1 && cp BioMedR.Rcheck\00install.out BioMedR-install.out && C:\Users\biocbuild\bbs-3.6-bioc\R\bin\R.exe CMD check --library=BioMedR.buildbin-libdir --install="check:BioMedR-install.out" --force-multiarch --no-vignettes --timings BioMedR_1.2.0.tar.gz
StartedAt: 2018-04-11 22:31:14 -0400 (Wed, 11 Apr 2018)
EndedAt: 2018-04-11 22:38:32 -0400 (Wed, 11 Apr 2018)
EllapsedTime: 437.6 seconds
RetCode: 1
Status:  ERROR  
CheckDir: BioMedR.Rcheck
Warnings: NA

Command output

##############################################################################
##############################################################################
###
### Running command:
###
###   rm -rf BioMedR.buildbin-libdir BioMedR.Rcheck && mkdir BioMedR.buildbin-libdir BioMedR.Rcheck && C:\Users\biocbuild\bbs-3.6-bioc\R\bin\R.exe CMD INSTALL --build --merge-multiarch --library=BioMedR.buildbin-libdir BioMedR_1.2.0.tar.gz >BioMedR.Rcheck\00install.out 2>&1 && cp BioMedR.Rcheck\00install.out BioMedR-install.out  &&  C:\Users\biocbuild\bbs-3.6-bioc\R\bin\R.exe CMD check --library=BioMedR.buildbin-libdir --install="check:BioMedR-install.out" --force-multiarch --no-vignettes --timings BioMedR_1.2.0.tar.gz
###
##############################################################################
##############################################################################


* using log directory 'C:/Users/biocbuild/bbs-3.6-bioc/meat/BioMedR.Rcheck'
* using R version 3.4.4 (2018-03-15)
* using platform: x86_64-w64-mingw32 (64-bit)
* using session charset: ISO8859-1
* using option '--no-vignettes'
* checking for file 'BioMedR/DESCRIPTION' ... OK
* checking extension type ... Package
* this is package 'BioMedR' version '1.2.0'
* checking package namespace information ... OK
* checking package dependencies ... OK
* checking if this is a source package ... OK
* checking if there is a namespace ... OK
* checking for hidden files and directories ... OK
* checking for portable file names ... OK
* checking whether package 'BioMedR' can be installed ... WARNING
Found the following significant warnings:
  Warning: Package 'BioMedR' is deprecated and will be removed from Bioconductor
See 'C:/Users/biocbuild/bbs-3.6-bioc/meat/BioMedR.Rcheck/00install.out' for details.
* checking installed package size ... OK
* checking package directory ... OK
* checking 'build' directory ... OK
* checking DESCRIPTION meta-information ... OK
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
* checking R files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* loading checks for arch 'i386'
** checking whether the package can be loaded ... OK
** checking whether the package can be loaded with stated dependencies ... OK
** checking whether the package can be unloaded cleanly ... OK
** checking whether the namespace can be loaded with stated dependencies ... OK
** checking whether the namespace can be unloaded cleanly ... OK
** checking loading without being on the library search path ... OK
* loading checks for arch 'x64'
** checking whether the package can be loaded ... OK
** checking whether the package can be loaded with stated dependencies ... OK
** checking whether the package can be unloaded cleanly ... OK
** checking whether the namespace can be loaded with stated dependencies ... OK
** checking whether the namespace can be unloaded cleanly ... OK
** checking loading without being on the library search path ... OK
* checking dependencies in R code ... OK
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... OK
* checking Rd files ... OK
* checking Rd metadata ... OK
* checking Rd cross-references ... OK
* checking for missing documentation entries ... OK
* checking for code/documentation mismatches ... OK
* checking Rd \usage sections ... OK
* checking Rd contents ... OK
* checking for unstated dependencies in examples ... OK
* checking contents of 'data' directory ... OK
* checking data for non-ASCII characters ... OK
* checking data for ASCII and uncompressed saves ... OK
* checking installed files from 'inst/doc' ... OK
* checking files in 'vignettes' ... OK
* checking examples ...
** running examples for arch 'i386' ... OK
Examples with CPU or elapsed time > 5s
                  user system elapsed
Autocorrelation   0.64   0.06   26.27
calcDrugMCSSim    0.55   0.01    7.54
parSeqSim         0.40   0.03   13.14
calcParProtSeqSim 0.24   0.00    7.03
** running examples for arch 'x64' ... OK
Examples with CPU or elapsed time > 5s
                  user system elapsed
extrDrugKR        6.61   0.13    1.08
parSeqSim         0.67   0.02   13.61
calcParProtSeqSim 0.19   0.02    6.84
extrDrugOBFP2     0.11   0.00    5.33
* checking for unstated dependencies in 'tests' ... OK
* checking tests ...
** running tests for arch 'i386' ...
  Running 'runTests.R'
Warning message:
running command '"C:/Users/BIOCBU˜1/BBS-3˜1.6-B/R/bin/i386/R" CMD BATCH --vanilla  "runTests.R" "runTests.Rout"' had status 1 
 ERROR
Running the tests in 'tests/runTests.R' failed.
Last 13 lines of output:
  1 Test Suite : 
  BioMedR RUnit Tests - 7 test functions, 0 errors, 1 failure
  FAILURE in test_extrDrugALOGP: Error in checkEqualsNumeric(sum(as.matrix(dat)), 328.1937635, tolerance = 1e-04) : 
    Mean relative difference: 0.04145779
  
  
  Test files with failing tests
  
     test_extractDrugALOGP.R 
       test_extrDrugALOGP 
  
  
  Error in BiocGenerics:::testPackage("BioMedR") : 
    unit tests failed for package BioMedR
  Execution halted
** running tests for arch 'x64' ...
  Running 'runTests.R'
Warning message:
running command '"C:/Users/BIOCBU˜1/BBS-3˜1.6-B/R/bin/x64/R" CMD BATCH --vanilla  "runTests.R" "runTests.Rout"' had status 1 
 ERROR
Running the tests in 'tests/runTests.R' failed.
Last 13 lines of output:
  1 Test Suite : 
  BioMedR RUnit Tests - 7 test functions, 0 errors, 1 failure
  FAILURE in test_extrDrugALOGP: Error in checkEqualsNumeric(sum(as.matrix(dat)), 328.1937635, tolerance = 1e-04) : 
    Mean relative difference: 0.04145779
  
  
  Test files with failing tests
  
     test_extractDrugALOGP.R 
       test_extrDrugALOGP 
  
  
  Error in BiocGenerics:::testPackage("BioMedR") : 
    unit tests failed for package BioMedR
  Execution halted
* checking for unstated dependencies in vignettes ... OK
* checking package vignettes in 'inst/doc' ... OK
* checking running R code from vignettes ... SKIPPED
* checking re-building of vignette outputs ... SKIPPED
* checking PDF version of manual ... OK
* DONE

Status: 2 ERRORs, 1 WARNING
See
  'C:/Users/biocbuild/bbs-3.6-bioc/meat/BioMedR.Rcheck/00check.log'
for details.


Installation output

BioMedR.Rcheck/00install.out


install for i386

* installing *source* package 'BioMedR' ...
** R
** data
*** moving datasets to lazyload DB
** inst
** preparing package for lazy loading
** help
*** installing help indices
  converting help for package 'BioMedR'
    finding HTML links ... done
    AA2DACOR                                html  
    AA3DMoRSE                               html  
    AAACF                                   html  
    AABLOSUM100                             html  
    AABLOSUM45                              html  
    AABLOSUM50                              html  
    AABLOSUM62                              html  
    AABLOSUM80                              html  
    AABurden                                html  
    AACPSA                                  html  
    AAConn                                  html  
    AAConst                                 html  
    AADescAll                               html  
    AAEdgeAdj                               html  
    AAEigIdx                                html  
    AAFGC                                   html  
    AAGETAWAY                               html  
    AAGeom                                  html  
    AAInfo                                  html  
    AAMOE2D                                 html  
    AAMOE3D                                 html  
    AAMetaInfo                              html  
    AAMolProp                               html  
    AAPAM120                                html  
    AAPAM250                                html  
    AAPAM30                                 html  
    AAPAM40                                 html  
    AAPAM70                                 html  
    AARDF                                   html  
    AARandic                                html  
    AATopo                                  html  
    AATopoChg                               html  
    AAWHIM                                  html  
    AAWalk                                  html  
    AAindex                                 html  
    Autocorrelation                         html  
    BMgetDNAGenBank                         html  
    BioMedR-package                         html  
    Constitutional                          html  
    NNeighbors                              html  
    finding level-2 HTML links ... done

    OptAA3d                                 html  
    acc                                     html  
    apfp                                    html  
    atomprop                                html  
    bcl                                     html  
    calcDrugFPSim                           html  
    calcDrugMCSSim                          html  
    calcParProtGOSim                        html  
    calcParProtSeqSim                       html  
    calcTwoProtGOSim                        html  
    calcTwoProtSeqSim                       html  
    checkDNA                                html  
    checkProt                               html  
    clusterCMP                              html  
    clusterJP                               html  
    clusterMDS                              html  
    clusterStat                             html  
    connectivity                            html  
    convAPtoFP                              html  
    convSDFtoAP                             html  
    diversity                               html  
    extrDNADAC                              html  
    extrDNADACC                             html  
    extrDNADCC                              html  
    extrDNAIncDiv                           html  
    extrDNAPseDNC                           html  
    extrDNAPseKNC                           html  
    extrDNATAC                              html  
    extrDNATACC                             html  
    extrDNATCC                              html  
    extrDNAkmer                             html  
    extrDrugAIO                             html  
    extrDrugAP                              html  
    extrDrugBCUT                            html  
    extrDrugCPSA                            html  
    extrDrugEstate                          html  
    extrDrugEstateComplete                  html  
    extrDrugExtended                        html  
    extrDrugExtendedComplete                html  
    extrDrugGraph                           html  
    extrDrugGraphComplete                   html  
    extrDrugHybridization                   html  
    extrDrugHybridizationComplete           html  
    extrDrugHybridizationRatio              html  
    extrDrugIPMolecularLearning             html  
    extrDrugKR                              html  
    extrDrugKRComplete                      html  
    extrDrugKappaShapeIndices               html  
    extrDrugKierHallSmarts                  html  
    extrDrugMACCS                           html  
    extrDrugMACCSComplete                   html  
    extrDrugMannholdLogP                    html  
    extrDrugOBFP2                           html  
    extrDrugOBFP3                           html  
    extrDrugOBFP4                           html  
    extrDrugPubChem                         html  
    extrDrugPubChemComplete                 html  
    extrDrugShortestPath                    html  
    extrDrugShortestPathComplete            html  
    extrDrugStandard                        html  
    extrDrugStandardComplete                html  
    extrDrugWHIM                            html  
    extrPCMBLOSUM                           html  
    extrPCMDescScales                       html  
    extrPCMFAScales                         html  
    extrPCMMDSScales                        html  
    extrPCMPropScales                       html  
    extrPCMScaleGap                         html  
    extrPCMScales                           html  
    extrProtAAC                             html  
    extrProtAPAAC                           html  
    extrProtCTDC                            html  
    extrProtCTDCClass                       html  
    extrProtCTDD                            html  
    extrProtCTDDClass                       html  
    extrProtCTDT                            html  
    extrProtCTDTClass                       html  
    extrProtCTriad                          html  
    extrProtCTriadClass                     html  
    extrProtDC                              html  
    extrProtFPGap                           html  
    extrProtGeary                           html  
    extrProtMoran                           html  
    extrProtMoreauBroto                     html  
    extrProtPAAC                            html  
    extrProtPSSM                            html  
    extrProtPSSMAcc                         html  
    extrProtPSSMFeature                     html  
    extrProtQSO                             html  
    extrProtSOCN                            html  
    extrProtTC                              html  
    geometric                               html  
    getCPI                                  html  
    getDrug                                 html  
    getProt                                 html  
    id_x_s                                  html  
    make_kmer_index                         html  
    parGOSim                                html  
    parSeqSim                               html  
    plotStructure                           html  
    pls.cv                                  html  
    property                                html  
    readFASTA                               html  
    readMolFromSDF                          html  
    readMolFromSmi                          html  
    readPDB                                 html  
    revchars                                html  
    rf.cv                                   html  
    rf.fs                                   html  
    sdfbcl                                  html  
    searchDrug                              html  
    segProt                                 html  
    topology                                html  
    twoGOSim                                html  
    twoSeqSim                               html  
** building package indices
** installing vignettes
** testing if installed package can be loaded
Warning: Package 'BioMedR' is deprecated and will be removed from Bioconductor
  version 3.7
In R CMD INSTALL

install for x64

* installing *source* package 'BioMedR' ...
** testing if installed package can be loaded
Warning: Package 'BioMedR' is deprecated and will be removed from Bioconductor
  version 3.7
* MD5 sums
packaged installation of 'BioMedR' as BioMedR_1.2.0.zip
* DONE (BioMedR)
In R CMD INSTALL
In R CMD INSTALL

Tests output

BioMedR.Rcheck/tests_i386/runTests.Rout.fail


R version 3.4.4 (2018-03-15) -- "Someone to Lean On"
Copyright (C) 2018 The R Foundation for Statistical Computing
Platform: i386-w64-mingw32/i386 (32-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> BiocGenerics:::testPackage('BioMedR')


Timing stopped at: 0.36 0 0.28
Error in checkEqualsNumeric(sum(as.matrix(dat)), 328.1937635, tolerance = 1e-04) : 
  Mean relative difference: 0.04145779

In addition: Warning message:
Package 'BioMedR' is deprecated and will be removed from Bioconductor
  version 3.7 


RUNIT TEST PROTOCOL -- Wed Apr 11 22:38:15 2018 
*********************************************** 
Number of test functions: 7 
Number of errors: 0 
Number of failures: 1 

 
1 Test Suite : 
BioMedR RUnit Tests - 7 test functions, 0 errors, 1 failure
FAILURE in test_extrDrugALOGP: Error in checkEqualsNumeric(sum(as.matrix(dat)), 328.1937635, tolerance = 1e-04) : 
  Mean relative difference: 0.04145779


Test files with failing tests

   test_extractDrugALOGP.R 
     test_extrDrugALOGP 


Error in BiocGenerics:::testPackage("BioMedR") : 
  unit tests failed for package BioMedR
Execution halted

BioMedR.Rcheck/tests_x64/runTests.Rout.fail


R version 3.4.4 (2018-03-15) -- "Someone to Lean On"
Copyright (C) 2018 The R Foundation for Statistical Computing
Platform: x86_64-w64-mingw32/x64 (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> BiocGenerics:::testPackage('BioMedR')


Timing stopped at: 0.52 0.03 0.26
Error in checkEqualsNumeric(sum(as.matrix(dat)), 328.1937635, tolerance = 1e-04) : 
  Mean relative difference: 0.04145779

In addition: Warning message:
Package 'BioMedR' is deprecated and will be removed from Bioconductor
  version 3.7 


RUNIT TEST PROTOCOL -- Wed Apr 11 22:38:22 2018 
*********************************************** 
Number of test functions: 7 
Number of errors: 0 
Number of failures: 1 

 
1 Test Suite : 
BioMedR RUnit Tests - 7 test functions, 0 errors, 1 failure
FAILURE in test_extrDrugALOGP: Error in checkEqualsNumeric(sum(as.matrix(dat)), 328.1937635, tolerance = 1e-04) : 
  Mean relative difference: 0.04145779


Test files with failing tests

   test_extractDrugALOGP.R 
     test_extrDrugALOGP 


Error in BiocGenerics:::testPackage("BioMedR") : 
  unit tests failed for package BioMedR
Execution halted

Example timings

BioMedR.Rcheck/examples_i386/BioMedR-Ex.timings

nameusersystemelapsed
AA2DACOR0.010.010.03
AA3DMoRSE0.020.000.02
AAACF0.000.020.01
AABLOSUM100000
AABLOSUM450.000.010.02
AABLOSUM50000
AABLOSUM62000
AABLOSUM800.000.020.01
AABurden000
AACPSA0.010.000.02
AAConn000
AAConst000
AADescAll000
AAEdgeAdj000
AAEigIdx0.010.000.02
AAFGC000
AAGETAWAY0.000.010.02
AAGeom000
AAInfo0.020.000.01
AAMOE2D000
AAMOE3D000
AAMetaInfo000
AAMolProp000
AAPAM1200.000.010.01
AAPAM250000
AAPAM300.000.020.02
AAPAM40000
AAPAM700.010.000.01
AARDF000
AARandic000
AATopo000
AATopoChg000
AAWHIM0.020.000.01
AAWalk000
AAindex0.000.020.02
Autocorrelation 0.64 0.0626.27
BMgetDNAGenBank000
BioMedR-package000
Constitutional0.300.013.00
NNeighbors1.170.021.41
OptAA3d000
acc0.000.020.02
apfp000
atomprop0.010.000.01
bcl000
calcDrugFPSim000
calcDrugMCSSim0.550.017.54
calcParProtGOSim000
calcParProtSeqSim0.240.007.03
calcTwoProtGOSim0.010.000.02
calcTwoProtSeqSim0.150.000.14
checkDNA000
checkProt000
clusterCMP1.390.061.58
clusterJP1.960.001.97
clusterMDS0.910.000.99
clusterStat0.380.000.37
connectivity1.360.033.47
convAPtoFP0.20.00.2
convSDFtoAP0.050.000.05
extrDNADAC000
extrDNADACC0.060.000.06
extrDNADCC0.060.000.06
extrDNAIncDiv0.080.000.08
extrDNAPseDNC0.000.020.02
extrDNAPseKNC000
extrDNATAC0.010.000.01
extrDNATACC0.070.000.07
extrDNATCC0.070.000.07
extrDNAkmer000
extrDrugAIO000
extrDrugAP0.190.000.19
extrDrugBCUT0.040.000.58
extrDrugCPSA0.190.012.00
extrDrugEstate0.210.031.01
extrDrugEstateComplete0.040.000.03
extrDrugExtended0.030.000.41
extrDrugExtendedComplete0.020.000.01
extrDrugGraph0.010.000.07
extrDrugGraphComplete0.020.000.01
extrDrugHybridization0.020.000.02
extrDrugHybridizationComplete0.010.000.01
extrDrugHybridizationRatio0.000.000.08
extrDrugIPMolecularLearning0.020.020.06
extrDrugKR1.500.011.75
extrDrugKRComplete1.280.001.29
extrDrugKappaShapeIndices0.060.000.09
extrDrugKierHallSmarts0.090.000.11
extrDrugMACCS0.130.020.36
extrDrugMACCSComplete0.060.000.05
extrDrugMannholdLogP3.190.004.50
extrDrugOBFP20.120.001.06
extrDrugOBFP3000
extrDrugOBFP40.070.000.22
extrDrugPubChem0.230.000.22
extrDrugPubChemComplete0.240.000.21
extrDrugShortestPath000
extrDrugShortestPathComplete000
extrDrugStandard000
extrDrugStandardComplete000
extrDrugWHIM0.050.000.41
extrPCMBLOSUM0.050.000.04
extrPCMDescScales0.000.020.02
extrPCMFAScales0.030.000.03
extrPCMMDSScales0.010.000.02
extrPCMPropScales0.030.000.03
extrPCMScaleGap0.020.000.01
extrPCMScales0.030.000.03
extrProtAAC000
extrProtAPAAC1.30.01.3
extrProtCTDC000
extrProtCTDCClass0.010.000.02
extrProtCTDD000
extrProtCTDDClass000
extrProtCTDT0.020.000.01
extrProtCTDTClass000
extrProtCTriad0.080.030.11
extrProtCTriadClass0.090.000.09
extrProtDC000
extrProtFPGap0.010.000.02
extrProtGeary0.140.010.15
extrProtMoran0.160.000.16
extrProtMoreauBroto0.120.020.14
extrProtPAAC0.410.000.41
extrProtPSSM000
extrProtPSSMAcc000
extrProtPSSMFeature000
extrProtQSO0.690.000.68
extrProtSOCN0.680.000.69
extrProtTC0.040.030.06
geometric0.060.000.10
getCPI000
getDrug000
getProt000
make_kmer_index000
parGOSim000
parSeqSim 0.40 0.0313.14
plotStructure0.250.000.25
pls.cv0.220.000.22
property0.120.000.36
readFASTA000
readMolFromSDF0.000.020.02
readMolFromSmi000
readPDB1.660.001.65
revchars000
rf.cv0.810.000.96
rf.fs0.600.000.59
sdfbcl0.010.000.02
searchDrug000
segProt000
topology0.240.000.48
twoGOSim000
twoSeqSim0.510.000.52

BioMedR.Rcheck/examples_x64/BioMedR-Ex.timings

nameusersystemelapsed
AA2DACOR0.040.000.03
AA3DMoRSE000
AAACF000
AABLOSUM100000
AABLOSUM450.020.000.02
AABLOSUM50000
AABLOSUM62000
AABLOSUM80000
AABurden0.000.010.01
AACPSA000
AAConn000
AAConst000
AADescAll0.010.000.02
AAEdgeAdj000
AAEigIdx000
AAFGC0.020.000.01
AAGETAWAY000
AAGeom000
AAInfo000
AAMOE2D000
AAMOE3D000
AAMetaInfo000
AAMolProp000
AAPAM120000
AAPAM250000
AAPAM30000
AAPAM40000
AAPAM70000
AARDF000
AARandic000
AATopo0.020.000.02
AATopoChg000
AAWHIM000
AAWalk000
AAindex000
Autocorrelation0.750.050.82
BMgetDNAGenBank000
BioMedR-package000
Constitutional0.420.010.29
NNeighbors0.720.000.86
OptAA3d000
acc0.030.000.03
apfp000
atomprop000
bcl000
calcDrugFPSim000
calcDrugMCSSim0.380.001.70
calcParProtGOSim000
calcParProtSeqSim0.190.026.84
calcTwoProtGOSim000
calcTwoProtSeqSim0.110.000.11
checkDNA000
checkProt000
clusterCMP1.250.001.25
clusterJP1.660.001.66
clusterMDS0.590.000.61
clusterStat0.300.000.29
connectivity1.810.080.53
convAPtoFP0.280.010.19
convSDFtoAP0.050.000.05
extrDNADAC000
extrDNADACC0.080.000.08
extrDNADCC0.070.000.07
extrDNAIncDiv0.090.000.09
extrDNAPseDNC0.020.000.02
extrDNAPseKNC000
extrDNATAC0.020.000.02
extrDNATACC0.070.000.07
extrDNATCC0.110.000.11
extrDNAkmer000
extrDrugAIO000
extrDrugAP0.190.000.19
extrDrugBCUT0.060.000.05
extrDrugCPSA0.360.000.17
extrDrugEstate0.270.020.22
extrDrugEstateComplete0.230.000.03
extrDrugExtended0.080.020.24
extrDrugExtendedComplete0.030.000.01
extrDrugGraph000
extrDrugGraphComplete000
extrDrugHybridization0.040.000.02
extrDrugHybridizationComplete0.060.010.01
extrDrugHybridizationRatio0.040.000.02
extrDrugIPMolecularLearning000
extrDrugKR6.610.131.08
extrDrugKRComplete0.640.010.66
extrDrugKappaShapeIndices0.030.000.03
extrDrugKierHallSmarts0.110.000.06
extrDrugMACCS0.630.000.06
extrDrugMACCSComplete0.280.000.05
extrDrugMannholdLogP4.780.143.00
extrDrugOBFP20.110.005.33
extrDrugOBFP3000
extrDrugOBFP40.080.000.50
extrDrugPubChem0.950.030.20
extrDrugPubChemComplete1.020.020.17
extrDrugShortestPath000
extrDrugShortestPathComplete000
extrDrugStandard0.110.000.01
extrDrugStandardComplete0.070.000.02
extrDrugWHIM0.190.000.09
extrPCMBLOSUM0.100.000.05
extrPCMDescScales0.000.010.02
extrPCMFAScales0.010.000.01
extrPCMMDSScales0.030.000.03
extrPCMPropScales0.030.000.03
extrPCMScaleGap0.020.000.02
extrPCMScales0.010.000.02
extrProtAAC000
extrProtAPAAC1.160.001.15
extrProtCTDC0.020.000.02
extrProtCTDCClass000
extrProtCTDD0.000.020.01
extrProtCTDDClass000
extrProtCTDT000
extrProtCTDTClass0.010.000.02
extrProtCTriad0.130.000.12
extrProtCTriadClass0.120.000.13
extrProtDC000
extrProtFPGap0.030.000.03
extrProtGeary0.210.000.20
extrProtMoran0.200.000.21
extrProtMoreauBroto0.190.000.18
extrProtPAAC0.670.000.68
extrProtPSSM0.010.000.01
extrProtPSSMAcc000
extrProtPSSMFeature000
extrProtQSO1.070.001.06
extrProtSOCN1.330.001.33
extrProtTC0.030.020.05
geometric0.090.010.06
getCPI000
getDrug000
getProt000
make_kmer_index000
parGOSim000
parSeqSim 0.67 0.0213.61
plotStructure0.250.000.25
pls.cv0.250.000.25
property0.350.010.19
readFASTA000
readMolFromSDF0.110.000.01
readMolFromSmi0.030.000.02
readPDB1.470.021.44
revchars000
rf.cv0.920.000.92
rf.fs0.50.00.5
sdfbcl0.010.000.01
searchDrug000
segProt000
topology0.330.030.24
twoGOSim000
twoSeqSim0.690.030.62