| name | user | system | elapsed
|
| AA2DACOR | 0.028 | 0.004 | 0.034 |
|
| AA3DMoRSE | 0.002 | 0.000 | 0.002 |
|
| AAACF | 0.003 | 0.000 | 0.003 |
|
| AABLOSUM100 | 0.002 | 0.000 | 0.003 |
|
| AABLOSUM45 | 0.003 | 0.001 | 0.003 |
|
| AABLOSUM50 | 0.002 | 0.001 | 0.004 |
|
| AABLOSUM62 | 0.002 | 0.001 | 0.004 |
|
| AABLOSUM80 | 0.003 | 0.000 | 0.003 |
|
| AABurden | 0.002 | 0.000 | 0.002 |
|
| AACPSA | 0.002 | 0.001 | 0.002 |
|
| AAConn | 0.002 | 0.001 | 0.003 |
|
| AAConst | 0.002 | 0.001 | 0.002 |
|
| AADescAll | 0.002 | 0.000 | 0.002 |
|
| AAEdgeAdj | 0.002 | 0.000 | 0.003 |
|
| AAEigIdx | 0.003 | 0.000 | 0.003 |
|
| AAFGC | 0.002 | 0.000 | 0.003 |
|
| AAGETAWAY | 0.003 | 0.000 | 0.004 |
|
| AAGeom | 0.003 | 0.000 | 0.003 |
|
| AAInfo | 0.002 | 0.000 | 0.003 |
|
| AAMOE2D | 0.002 | 0.001 | 0.003 |
|
| AAMOE3D | 0.002 | 0.001 | 0.003 |
|
| AAMetaInfo | 0.002 | 0.001 | 0.003 |
|
| AAMolProp | 0.002 | 0.000 | 0.003 |
|
| AAPAM120 | 0.003 | 0.000 | 0.002 |
|
| AAPAM250 | 0.002 | 0.001 | 0.003 |
|
| AAPAM30 | 0.002 | 0.001 | 0.003 |
|
| AAPAM40 | 0.002 | 0.001 | 0.003 |
|
| AAPAM70 | 0.003 | 0.001 | 0.003 |
|
| AARDF | 0.002 | 0.001 | 0.003 |
|
| AARandic | 0.002 | 0.001 | 0.004 |
|
| AATopo | 0.003 | 0.001 | 0.003 |
|
| AATopoChg | 0.003 | 0.001 | 0.004 |
|
| AAWHIM | 0.002 | 0.001 | 0.002 |
|
| AAWalk | 0.002 | 0.001 | 0.003 |
|
| AAindex | 0.002 | 0.001 | 0.004 |
|
| OptAA3d | 0.001 | 0.001 | 0.000 |
|
| Rcpi-package | 0.001 | 0.000 | 0.000 |
|
| acc | 0.022 | 0.009 | 0.033 |
|
| calcDrugFPSim | 0.000 | 0.000 | 0.001 |
|
| calcDrugMCSSim | 0.001 | 0.000 | 0.001 |
|
| calcParProtGOSim | 0.001 | 0.000 | 0.001 |
|
| calcParProtSeqSim | 0.001 | 0.000 | 0.000 |
|
| calcTwoProtGOSim | 0.000 | 0.000 | 0.001 |
|
| calcTwoProtSeqSim | 0.001 | 0.000 | 0.001 |
|
| checkProt | 0.006 | 0.001 | 0.007 |
|
| convMolFormat | 0.000 | 0.000 | 0.001 |
|
| extractDrugAIO | 0.001 | 0.001 | 0.001 |
|
| extractDrugALOGP | 0.001 | 0.000 | 0.001 |
|
| extractDrugAminoAcidCount | 0.000 | 0.001 | 0.001 |
|
| extractDrugApol | 0 | 0 | 0 |
|
| extractDrugAromaticAtomsCount | 0.000 | 0.000 | 0.001 |
|
| extractDrugAromaticBondsCount | 0.001 | 0.000 | 0.001 |
|
| extractDrugAtomCount | 0.000 | 0.000 | 0.001 |
|
| extractDrugAutocorrelationCharge | 0.001 | 0.000 | 0.001 |
|
| extractDrugAutocorrelationMass | 0.000 | 0.000 | 0.001 |
|
| extractDrugAutocorrelationPolarizability | 0 | 0 | 0 |
|
| extractDrugBCUT | 0.000 | 0.000 | 0.001 |
|
| extractDrugBPol | 0.000 | 0.000 | 0.001 |
|
| extractDrugBondCount | 0.000 | 0.000 | 0.001 |
|
| extractDrugCPSA | 0.001 | 0.000 | 0.000 |
|
| extractDrugCarbonTypes | 0.000 | 0.000 | 0.001 |
|
| extractDrugChiChain | 0.000 | 0.000 | 0.001 |
|
| extractDrugChiCluster | 0 | 0 | 0 |
|
| extractDrugChiPath | 0.001 | 0.000 | 0.001 |
|
| extractDrugChiPathCluster | 0.000 | 0.000 | 0.001 |
|
| extractDrugDescOB | 0 | 0 | 0 |
|
| extractDrugECI | 0.001 | 0.000 | 0.001 |
|
| extractDrugEstate | 0.001 | 0.000 | 0.000 |
|
| extractDrugEstateComplete | 0.000 | 0.000 | 0.001 |
|
| extractDrugExtended | 0.000 | 0.000 | 0.001 |
|
| extractDrugExtendedComplete | 0.000 | 0.000 | 0.001 |
|
| extractDrugFMF | 0 | 0 | 0 |
|
| extractDrugFragmentComplexity | 0.001 | 0.000 | 0.001 |
|
| extractDrugGraph | 0 | 0 | 0 |
|
| extractDrugGraphComplete | 0.001 | 0.000 | 0.001 |
|
| extractDrugGravitationalIndex | 0.001 | 0.000 | 0.000 |
|
| extractDrugHBondAcceptorCount | 0.001 | 0.000 | 0.001 |
|
| extractDrugHBondDonorCount | 0.001 | 0.000 | 0.000 |
|
| extractDrugHybridization | 0.001 | 0.000 | 0.001 |
|
| extractDrugHybridizationComplete | 0.001 | 0.000 | 0.001 |
|
| extractDrugHybridizationRatio | 0.000 | 0.000 | 0.001 |
|
| extractDrugIPMolecularLearning | 0 | 0 | 0 |
|
| extractDrugKR | 0.001 | 0.000 | 0.001 |
|
| extractDrugKRComplete | 0.001 | 0.000 | 0.001 |
|
| extractDrugKappaShapeIndices | 0.000 | 0.000 | 0.001 |
|
| extractDrugKierHallSmarts | 0.000 | 0.000 | 0.001 |
|
| extractDrugLargestChain | 0.001 | 0.000 | 0.001 |
|
| extractDrugLargestPiSystem | 0.001 | 0.000 | 0.000 |
|
| extractDrugLengthOverBreadth | 0.000 | 0.000 | 0.001 |
|
| extractDrugLongestAliphaticChain | 0.000 | 0.000 | 0.001 |
|
| extractDrugMACCS | 0 | 0 | 0 |
|
| extractDrugMACCSComplete | 0.001 | 0.000 | 0.001 |
|
| extractDrugMDE | 0.001 | 0.000 | 0.002 |
|
| extractDrugMannholdLogP | 0.001 | 0.000 | 0.001 |
|
| extractDrugMomentOfInertia | 0.001 | 0.000 | 0.001 |
|
| extractDrugOBFP2 | 0.001 | 0.000 | 0.001 |
|
| extractDrugOBFP3 | 0.001 | 0.001 | 0.001 |
|
| extractDrugOBFP4 | 0.001 | 0.001 | 0.001 |
|
| extractDrugOBMACCS | 0.001 | 0.000 | 0.000 |
|
| extractDrugPetitjeanNumber | 0.001 | 0.000 | 0.001 |
|
| extractDrugPetitjeanShapeIndex | 0.001 | 0.000 | 0.001 |
|
| extractDrugPubChem | 0.001 | 0.000 | 0.000 |
|
| extractDrugPubChemComplete | 0.001 | 0.000 | 0.001 |
|
| extractDrugRotatableBondsCount | 0.001 | 0.000 | 0.000 |
|
| extractDrugRuleOfFive | 0.001 | 0.000 | 0.000 |
|
| extractDrugShortestPath | 0.000 | 0.000 | 0.001 |
|
| extractDrugShortestPathComplete | 0.000 | 0.000 | 0.001 |
|
| extractDrugStandard | 0.001 | 0.000 | 0.000 |
|
| extractDrugStandardComplete | 0.001 | 0.000 | 0.000 |
|
| extractDrugTPSA | 0.001 | 0.001 | 0.001 |
|
| extractDrugVABC | 0.001 | 0.000 | 0.000 |
|
| extractDrugVAdjMa | 0.001 | 0.000 | 0.001 |
|
| extractDrugWHIM | 0.001 | 0.000 | 0.001 |
|
| extractDrugWeight | 0.001 | 0.000 | 0.000 |
|
| extractDrugWeightedPath | 0.000 | 0.000 | 0.001 |
|
| extractDrugWienerNumbers | 0.001 | 0.000 | 0.001 |
|
| extractDrugXLogP | 0.001 | 0.000 | 0.001 |
|
| extractDrugZagrebIndex | 0.001 | 0.000 | 0.000 |
|
| extractPCMBLOSUM | 0.018 | 0.004 | 0.024 |
|
| extractPCMDescScales | 0.019 | 0.003 | 0.023 |
|
| extractPCMFAScales | 0.032 | 0.004 | 0.036 |
|
| extractPCMMDSScales | 0.018 | 0.001 | 0.019 |
|
| extractPCMPropScales | 0.022 | 0.001 | 0.023 |
|
| extractPCMScales | 0.041 | 0.003 | 0.044 |
|
| extractProtAAC | 0.006 | 0.001 | 0.007 |
|
| extractProtAPAAC | 3.368 | 0.103 | 3.460 |
|
| extractProtCTDC | 0.008 | 0.001 | 0.010 |
|
| extractProtCTDD | 0.008 | 0.002 | 0.010 |
|
| extractProtCTDT | 0.016 | 0.001 | 0.018 |
|
| extractProtCTriad | 0.244 | 0.008 | 0.254 |
|
| extractProtDC | 0.007 | 0.004 | 0.011 |
|
| extractProtGeary | 0.247 | 0.013 | 0.263 |
|
| extractProtMoran | 0.253 | 0.009 | 0.264 |
|
| extractProtMoreauBroto | 0.230 | 0.012 | 0.243 |
|
| extractProtPAAC | 1.268 | 0.007 | 1.278 |
|
| extractProtPSSM | 0.000 | 0.001 | 0.000 |
|
| extractProtPSSMAcc | 0 | 0 | 0 |
|
| extractProtPSSMFeature | 0.001 | 0.001 | 0.000 |
|
| extractProtQSO | 2.080 | 0.032 | 2.116 |
|
| extractProtSOCN | 2.056 | 0.015 | 2.070 |
|
| extractProtTC | 0.075 | 0.068 | 0.145 |
|
| getCPI | 0.004 | 0.001 | 0.005 |
|
| getDrug | 0.000 | 0.000 | 0.001 |
|
| getFASTAFromKEGG | 0.000 | 0.000 | 0.001 |
|
| getFASTAFromUniProt | 0.000 | 0.000 | 0.001 |
|
| getMolFromCAS | 0 | 0 | 0 |
|
| getMolFromChEMBL | 0 | 0 | 0 |
|
| getMolFromDrugBank | 0.000 | 0.001 | 0.000 |
|
| getMolFromKEGG | 0 | 0 | 0 |
|
| getMolFromPubChem | 0.000 | 0.001 | 0.000 |
|
| getPDBFromRCSBPDB | 0.000 | 0.000 | 0.001 |
|
| getPPI | 0.005 | 0.001 | 0.005 |
|
| getProt | 0.000 | 0.000 | 0.001 |
|
| getSeqFromKEGG | 0.000 | 0.000 | 0.001 |
|
| getSeqFromRCSBPDB | 0.001 | 0.000 | 0.000 |
|
| getSeqFromUniProt | 0.001 | 0.000 | 0.000 |
|
| getSmiFromChEMBL | 0.000 | 0.000 | 0.001 |
|
| getSmiFromDrugBank | 0 | 0 | 0 |
|
| getSmiFromKEGG | 0.001 | 0.000 | 0.001 |
|
| getSmiFromPubChem | 0 | 0 | 0 |
|
| readFASTA | 0.003 | 0.001 | 0.005 |
|
| readMolFromSDF | 0.001 | 0.000 | 0.001 |
|
| readMolFromSmi | 0.000 | 0.000 | 0.001 |
|
| readPDB | 1.342 | 0.011 | 1.352 |
|
| searchDrug | 0 | 0 | 0 |
|
| segProt | 0.005 | 0.002 | 0.007 |
|