name | user | system | elapsed
|
AA2DACOR | 0.020 | 0.002 | 0.023 |
|
AA3DMoRSE | 0.002 | 0.000 | 0.002 |
|
AAACF | 0.002 | 0.001 | 0.002 |
|
AABLOSUM100 | 0.002 | 0.001 | 0.002 |
|
AABLOSUM45 | 0.002 | 0.001 | 0.002 |
|
AABLOSUM50 | 0.001 | 0.001 | 0.002 |
|
AABLOSUM62 | 0.001 | 0.000 | 0.003 |
|
AABLOSUM80 | 0.001 | 0.001 | 0.003 |
|
AABurden | 0.002 | 0.001 | 0.002 |
|
AACPSA | 0.001 | 0.001 | 0.002 |
|
AAConn | 0.001 | 0.000 | 0.002 |
|
AAConst | 0.001 | 0.001 | 0.002 |
|
AADescAll | 0.001 | 0.000 | 0.001 |
|
AAEdgeAdj | 0.001 | 0.001 | 0.001 |
|
AAEigIdx | 0.001 | 0.000 | 0.002 |
|
AAFGC | 0.001 | 0.001 | 0.001 |
|
AAGETAWAY | 0.001 | 0.000 | 0.001 |
|
AAGeom | 0.001 | 0.000 | 0.002 |
|
AAInfo | 0.001 | 0.000 | 0.002 |
|
AAMOE2D | 0.001 | 0.000 | 0.001 |
|
AAMOE3D | 0.001 | 0.000 | 0.001 |
|
AAMetaInfo | 0.001 | 0.000 | 0.001 |
|
AAMolProp | 0.001 | 0.001 | 0.002 |
|
AAPAM120 | 0.001 | 0.000 | 0.001 |
|
AAPAM250 | 0.001 | 0.001 | 0.001 |
|
AAPAM30 | 0.001 | 0.000 | 0.002 |
|
AAPAM40 | 0.001 | 0.001 | 0.001 |
|
AAPAM70 | 0.001 | 0.000 | 0.001 |
|
AARDF | 0.001 | 0.001 | 0.001 |
|
AARandic | 0.001 | 0.000 | 0.002 |
|
AATopo | 0.001 | 0.001 | 0.001 |
|
AATopoChg | 0.001 | 0.000 | 0.001 |
|
AAWHIM | 0.001 | 0.001 | 0.002 |
|
AAWalk | 0.001 | 0.000 | 0.001 |
|
AAindex | 0.001 | 0.001 | 0.002 |
|
OptAA3d | 0 | 0 | 0 |
|
acc | 0.010 | 0.003 | 0.013 |
|
calcDrugFPSim | 2.203 | 0.101 | 1.039 |
|
calcDrugMCSSim | 0.007 | 0.002 | 0.010 |
|
calcParProtGOSim | 0.001 | 0.000 | 0.001 |
|
calcParProtSeqSim | 0.008 | 0.000 | 0.008 |
|
calcTwoProtGOSim | 0.001 | 0.000 | 0.001 |
|
calcTwoProtSeqSim | 0.003 | 0.000 | 0.004 |
|
checkProt | 0.002 | 0.001 | 0.003 |
|
convMolFormat | 0.001 | 0.000 | 0.002 |
|
extractDrugAIO | 0.001 | 0.000 | 0.001 |
|
extractDrugALOGP | 0.001 | 0.000 | 0.001 |
|
extractDrugAminoAcidCount | 0.001 | 0.000 | 0.001 |
|
extractDrugApol | 0.001 | 0.001 | 0.001 |
|
extractDrugAromaticAtomsCount | 0.001 | 0.000 | 0.001 |
|
extractDrugAromaticBondsCount | 0.001 | 0.000 | 0.001 |
|
extractDrugAtomCount | 0.001 | 0.000 | 0.001 |
|
extractDrugAutocorrelationCharge | 0.001 | 0.001 | 0.000 |
|
extractDrugAutocorrelationMass | 0.000 | 0.000 | 0.001 |
|
extractDrugAutocorrelationPolarizability | 0.001 | 0.000 | 0.001 |
|
extractDrugBCUT | 0.000 | 0.000 | 0.001 |
|
extractDrugBPol | 0.001 | 0.000 | 0.000 |
|
extractDrugBondCount | 0.000 | 0.000 | 0.001 |
|
extractDrugCPSA | 0.001 | 0.000 | 0.001 |
|
extractDrugCarbonTypes | 0.001 | 0.000 | 0.000 |
|
extractDrugChiChain | 0.001 | 0.000 | 0.001 |
|
extractDrugChiCluster | 0.001 | 0.000 | 0.001 |
|
extractDrugChiPath | 0.001 | 0.000 | 0.000 |
|
extractDrugChiPathCluster | 0.001 | 0.000 | 0.001 |
|
extractDrugDescOB | 0.150 | 0.002 | 0.151 |
|
extractDrugECI | 0.001 | 0.000 | 0.001 |
|
extractDrugEstate | 0.001 | 0.000 | 0.001 |
|
extractDrugEstateComplete | 0.001 | 0.000 | 0.001 |
|
extractDrugExtended | 0.001 | 0.000 | 0.001 |
|
extractDrugExtendedComplete | 0.001 | 0.000 | 0.001 |
|
extractDrugFMF | 0.001 | 0.000 | 0.001 |
|
extractDrugFragmentComplexity | 0.002 | 0.000 | 0.001 |
|
extractDrugGraph | 0.001 | 0.001 | 0.002 |
|
extractDrugGraphComplete | 0.001 | 0.000 | 0.001 |
|
extractDrugGravitationalIndex | 0.001 | 0.000 | 0.001 |
|
extractDrugHBondAcceptorCount | 0.001 | 0.000 | 0.001 |
|
extractDrugHBondDonorCount | 0.001 | 0.000 | 0.002 |
|
extractDrugHybridization | 0.001 | 0.000 | 0.001 |
|
extractDrugHybridizationComplete | 0.001 | 0.000 | 0.002 |
|
extractDrugHybridizationRatio | 0.002 | 0.000 | 0.002 |
|
extractDrugIPMolecularLearning | 0.001 | 0.001 | 0.002 |
|
extractDrugKR | 0.001 | 0.000 | 0.001 |
|
extractDrugKRComplete | 0 | 0 | 0 |
|
extractDrugKappaShapeIndices | 0.001 | 0.000 | 0.001 |
|
extractDrugKierHallSmarts | 0.000 | 0.000 | 0.001 |
|
extractDrugLargestChain | 0.001 | 0.000 | 0.001 |
|
extractDrugLargestPiSystem | 0.000 | 0.000 | 0.001 |
|
extractDrugLengthOverBreadth | 0.001 | 0.000 | 0.002 |
|
extractDrugLongestAliphaticChain | 0.001 | 0.001 | 0.001 |
|
extractDrugMACCS | 0.001 | 0.000 | 0.001 |
|
extractDrugMACCSComplete | 0.001 | 0.000 | 0.001 |
|
extractDrugMDE | 0.001 | 0.000 | 0.001 |
|
extractDrugMannholdLogP | 0.002 | 0.000 | 0.002 |
|
extractDrugMomentOfInertia | 0.001 | 0.001 | 0.002 |
|
extractDrugOBFP2 | 0.010 | 0.002 | 0.013 |
|
extractDrugOBFP3 | 0.005 | 0.001 | 0.005 |
|
extractDrugOBFP4 | 0.007 | 0.000 | 0.007 |
|
extractDrugOBMACCS | 0.010 | 0.001 | 0.011 |
|
extractDrugPetitjeanNumber | 0.001 | 0.000 | 0.001 |
|
extractDrugPetitjeanShapeIndex | 0.001 | 0.001 | 0.001 |
|
extractDrugPubChem | 0.001 | 0.000 | 0.001 |
|
extractDrugPubChemComplete | 0.001 | 0.000 | 0.002 |
|
extractDrugRotatableBondsCount | 0.001 | 0.000 | 0.002 |
|
extractDrugRuleOfFive | 0.001 | 0.000 | 0.002 |
|
extractDrugShortestPath | 0.001 | 0.000 | 0.001 |
|
extractDrugShortestPathComplete | 0.001 | 0.000 | 0.002 |
|
extractDrugStandard | 0.001 | 0.000 | 0.001 |
|
extractDrugStandardComplete | 0.001 | 0.001 | 0.001 |
|
extractDrugTPSA | 0.001 | 0.000 | 0.000 |
|
extractDrugVABC | 0.002 | 0.000 | 0.002 |
|
extractDrugVAdjMa | 0.001 | 0.000 | 0.001 |
|
extractDrugWHIM | 0.001 | 0.000 | 0.001 |
|
extractDrugWeight | 0.001 | 0.000 | 0.001 |
|
extractDrugWeightedPath | 0.001 | 0.001 | 0.002 |
|
extractDrugWienerNumbers | 0.002 | 0.000 | 0.002 |
|
extractDrugXLogP | 0.001 | 0.000 | 0.002 |
|
extractDrugZagrebIndex | 0.002 | 0.000 | 0.002 |
|
extractPCMBLOSUM | 0.013 | 0.002 | 0.015 |
|
extractPCMDescScales | 0.015 | 0.001 | 0.016 |
|
extractPCMFAScales | 0.028 | 0.003 | 0.031 |
|
extractPCMMDSScales | 0.015 | 0.002 | 0.017 |
|
extractPCMPropScales | 0.017 | 0.001 | 0.019 |
|
extractPCMScales | 0.028 | 0.002 | 0.031 |
|
extractProtAAC | 0.003 | 0.000 | 0.004 |
|
extractProtAPAAC | 2.218 | 0.049 | 2.266 |
|
extractProtCTDC | 0.003 | 0.000 | 0.003 |
|
extractProtCTDD | 0.005 | 0.001 | 0.006 |
|
extractProtCTDT | 0.007 | 0.001 | 0.008 |
|
extractProtCTriad | 0.133 | 0.008 | 0.141 |
|
extractProtDC | 0.005 | 0.002 | 0.007 |
|
extractProtGeary | 0.190 | 0.004 | 0.192 |
|
extractProtMoran | 0.159 | 0.006 | 0.165 |
|
extractProtMoreauBroto | 0.159 | 0.005 | 0.163 |
|
extractProtPAAC | 0.816 | 0.014 | 0.831 |
|
extractProtPSSM | 0.001 | 0.001 | 0.002 |
|
extractProtPSSMAcc | 0.001 | 0.000 | 0.001 |
|
extractProtPSSMFeature | 0.002 | 0.000 | 0.002 |
|
extractProtQSO | 1.536 | 0.014 | 1.549 |
|
extractProtSOCN | 1.546 | 0.010 | 1.557 |
|
extractProtTC | 0.050 | 0.042 | 0.093 |
|
getCPI | 0.003 | 0.000 | 0.004 |
|
getDrug | 0.001 | 0.000 | 0.001 |
|
getFASTAFromKEGG | 0.001 | 0.000 | 0.001 |
|
getFASTAFromUniProt | 0.000 | 0.000 | 0.001 |
|
getMolFromCAS | 0.000 | 0.000 | 0.001 |
|
getMolFromChEMBL | 0 | 0 | 0 |
|
getMolFromDrugBank | 0 | 0 | 0 |
|
getMolFromKEGG | 0 | 0 | 0 |
|
getMolFromPubChem | 0.001 | 0.000 | 0.000 |
|
getPDBFromRCSBPDB | 0.000 | 0.001 | 0.001 |
|
getPPI | 0.004 | 0.001 | 0.005 |
|
getProt | 0.000 | 0.000 | 0.001 |
|
getSeqFromKEGG | 0.001 | 0.000 | 0.001 |
|
getSeqFromRCSBPDB | 0.001 | 0.000 | 0.001 |
|
getSeqFromUniProt | 0.001 | 0.000 | 0.001 |
|
getSmiFromChEMBL | 0.000 | 0.000 | 0.001 |
|
getSmiFromDrugBank | 0.000 | 0.000 | 0.001 |
|
getSmiFromKEGG | 0 | 0 | 0 |
|
getSmiFromPubChem | 0 | 0 | 0 |
|
readFASTA | 0.002 | 0.000 | 0.003 |
|
readMolFromSDF | 0.003 | 0.001 | 0.003 |
|
readMolFromSmi | 0.001 | 0.000 | 0.002 |
|
readPDB | 1.134 | 0.010 | 1.145 |
|
searchDrug | 0.002 | 0.001 | 0.003 |
|
segProt | 0.003 | 0.000 | 0.004 |
|