AA2DACOR |
2D Autocorrelations Descriptors for 20 Amino Acids calculated by Dragon |
AA3DMoRSE |
3D-MoRSE Descriptors for 20 Amino Acids calculated by Dragon |
AAACF |
Atom-Centred Fragments Descriptors for 20 Amino Acids calculated by Dragon |
AABLOSUM100 |
BLOSUM100 Matrix for 20 Amino Acids |
AABLOSUM45 |
BLOSUM45 Matrix for 20 Amino Acids |
AABLOSUM50 |
BLOSUM50 Matrix for 20 Amino Acids |
AABLOSUM62 |
BLOSUM62 Matrix for 20 Amino Acids |
AABLOSUM80 |
BLOSUM80 Matrix for 20 Amino Acids |
AABurden |
Burden Eigenvalues Descriptors for 20 Amino Acids calculated by Dragon |
AAConn |
Connectivity Indices Descriptors for 20 Amino Acids calculated by Dragon |
AAConst |
Constitutional Descriptors for 20 Amino Acids calculated by Dragon |
AACPSA |
CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio |
AADescAll |
All 2D Descriptors for 20 Amino Acids calculated by Dragon |
AAEdgeAdj |
Edge Adjacency Indices Descriptors for 20 Amino Acids calculated by Dragon |
AAEigIdx |
Eigenvalue-Based Indices Descriptors for 20 Amino Acids calculated by Dragon |
AAFGC |
Functional Group Counts Descriptors for 20 Amino Acids calculated by Dragon |
AAGeom |
Geometrical Descriptors for 20 Amino Acids calculated by Dragon |
AAGETAWAY |
GETAWAY Descriptors for 20 Amino Acids calculated by Dragon |
AAindex |
AAindex Data of 544 Physicochemical and Biological Properties for 20 Amino Acids |
AAInfo |
Information Indices Descriptors for 20 Amino Acids calculated by Dragon |
AAMetaInfo |
Meta Information for the 20 Amino Acids |
AAMOE2D |
2D Descriptors for 20 Amino Acids calculated by MOE 2011.10 |
AAMOE3D |
3D Descriptors for 20 Amino Acids calculated by MOE 2011.10 |
AAMolProp |
Molecular Properties Descriptors for 20 Amino Acids calculated by Dragon |
AAPAM120 |
PAM120 Matrix for 20 Amino Acids |
AAPAM250 |
PAM250 Matrix for 20 Amino Acids |
AAPAM30 |
PAM30 Matrix for 20 Amino Acids |
AAPAM40 |
PAM40 Matrix for 20 Amino Acids |
AAPAM70 |
PAM70 Matrix for 20 Amino Acids |
AARandic |
Randic Molecular Profiles Descriptors for 20 Amino Acids calculated by Dragon |
AARDF |
RDF Descriptors for 20 Amino Acids calculated by Dragon |
AATopo |
Topological Descriptors for 20 Amino Acids calculated by Dragon |
AATopoChg |
Topological Charge Indices Descriptors for 20 Amino Acids calculated by Dragon |
AAWalk |
Walk and Path Counts Descriptors for 20 Amino Acids calculated by Dragon |
AAWHIM |
WHIM Descriptors for 20 Amino Acids calculated by Dragon |
acc |
Auto Cross Covariance (ACC) for Generating Scales-Based Descriptors of the Same Length |
apfp |
Frequent Atom Pairs |
atomprop |
Standard atomic weights |
Autocorrelation |
Calculates the Moreau-Broto Autocorrelation Descriptors using Partial Charges |
extrDNADAC |
The Dinucleotide-based Auto Covariance Descriptor |
extrDNADACC |
The Dinucleotide-based Auto-cross Covariance Descriptor |
extrDNADCC |
The Dinucleotide-based Cross Covariance Descriptor |
extrDNAIncDiv |
The Increment Of Diversity Descriptors |
extrDNAkmer |
The Basic Kmer Descriptor |
extrDNAPseDNC |
The Pseudo Dinucleotide Composition Descriptor |
extrDNAPseKNC |
The Pseudo K-tupler Composition Descriptor |
extrDNATAC |
The Trinucleotide-based Auto Covariance Descriptor |
extrDNATACC |
The Trinucleotide-based Auto-cross Covariance Descriptor |
extrDNATCC |
The Trinucleotide-based Cross Covariance Descriptor |
extrDrugAIO |
Calculates All the Molecular Descriptors in the BioMedR Package at Once |
extrDrugALOGP |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugAminoAcidCount |
Calculates the Number of Amino Acids Descriptor |
extrDrugAP |
Calculate the Atom Pair Fingerprints |
extrDrugApol |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugAromaticAtomsCount |
Calculates the Number of Amino Acids Descriptor |
extrDrugAromaticBondsCount |
Calculates the Number of Amino Acids Descriptor |
extrDrugAtomCount |
Calculates the Number of Amino Acids Descriptor |
extrDrugAutocorrelationcharge |
Calculates the Moreau-Broto Autocorrelation Descriptors using Partial Charges |
extrDrugAutocorrelationMass |
Calculates the Moreau-Broto Autocorrelation Descriptors using Partial Charges |
extrDrugAutocorrelationPolarizability |
Calculates the Moreau-Broto Autocorrelation Descriptors using Partial Charges |
extrDrugBCUT |
BCUT - Eigenvalue Based Descriptor |
extrDrugBondCount |
Calculates the Number of Amino Acids Descriptor |
extrDrugBPol |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugCarbonTypes |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugChiChain |
Calculate the Kier and Hall Chi Chain Indices of Orders 3, 4, 5, 6 and 7 |
extrDrugChiCluster |
Calculate the Kier and Hall Chi Chain Indices of Orders 3, 4, 5, 6 and 7 |
extrDrugChiPath |
Calculate the Kier and Hall Chi Chain Indices of Orders 3, 4, 5, 6 and 7 |
extrDrugChiPathCluster |
Calculate the Kier and Hall Chi Chain Indices of Orders 3, 4, 5, 6 and 7 |
extrDrugCPSA |
A Variety of Descriptors Combining Surface Area and Partial Charge Information |
extrDrugECI |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugEstate |
Calculate the E-State Molecular Fingerprints (in Compact Format) |
extrDrugEstateComplete |
Calculate the E-State Molecular Fingerprints (in Complete Format) |
extrDrugExtended |
Calculate the Extended Molecular Fingerprints (in Compact Format) |
extrDrugExtendedComplete |
Calculate the Extended Molecular Fingerprints (in Complete Format) |
extrDrugFMF |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugFragmentComplexity |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugGraph |
Calculate the Graph Molecular Fingerprints (in Compact Format) |
extrDrugGraphComplete |
Calculate the Graph Molecular Fingerprints (in Complete Format) |
extrDrugGravitationalIndex |
Descriptor Characterizing the Mass Distribution of the Molecule. |
extrDrugHBondAcceptorCount |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugHBondDonorCount |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugHybridization |
Calculate the Hybridization Molecular Fingerprints (in Compact Format) |
extrDrugHybridizationComplete |
Calculate the Hybridization Molecular Fingerprints (in Complete Format) |
extrDrugHybridizationRatio |
Descriptor that Characterizing Molecular Complexity in Terms of Carbon Hybridization States |
extrDrugIPMolecularLearning |
Calculates the Descriptor that Evaluates the Ionization Potential |
extrDrugKappaShapeIndices |
Descriptor that Calculates Kier and Hall Kappa Molecular Shape Indices |
extrDrugKierHallSmarts |
Descriptor that Counts the Number of Occurrences of the E-State Fragments |
extrDrugKR |
Calculate the KR (Klekota and Roth) Molecular Fingerprints (in Compact Format) |
extrDrugKRComplete |
Calculate the KR (Klekota and Roth) Molecular Fingerprints (in Complete Format) |
extrDrugLargestChain |
Calculates the Number of Amino Acids Descriptor |
extrDrugLargestPiSystem |
Calculates the Number of Amino Acids Descriptor |
extrDrugLengthOverBreadth |
Descriptor Characterizing the Mass Distribution of the Molecule. |
extrDrugLogP |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugLongestAliphaticChain |
Calculates the Number of Amino Acids Descriptor |
extrDrugMACCS |
Calculate the MACCS Molecular Fingerprints (in Compact Format) |
extrDrugMACCSComplete |
Calculate the MACCS Molecular Fingerprints (in Complete Format) |
extrDrugMannholdLogP |
Descriptor that Calculates the LogP Based on a Simple Equation Using the Number of Carbons and Hetero Atoms |
extrDrugMDE |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugMomentOfInertia |
Descriptor Characterizing the Mass Distribution of the Molecule. |
extrDrugOBFP2 |
Calculate the FP2 Molecular Fingerprints |
extrDrugOBFP3 |
Calculate the FP3 Molecular Fingerprints |
extrDrugOBFP4 |
Calculate the FP4 Molecular Fingerprints |
extrDrugPetitjeanNumber |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugPetitjeanShapeIndex |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugPubChem |
Calculate the PubChem Molecular Fingerprints (in Compact Format) |
extrDrugPubChemComplete |
Calculate the PubChem Molecular Fingerprints (in Complete Format) |
extrDrugRotatableBondsCount |
Calculates the Number of Amino Acids Descriptor |
extrDrugRuleOfFive |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugShortestPath |
Calculate the Shortest Path Molecular Fingerprints (in Compact Format) |
extrDrugShortestPathComplete |
Calculate the Shortest Path Molecular Fingerprints (in Complete Format) |
extrDrugStandard |
Calculate the Standard Molecular Fingerprints (in Compact Format) |
extrDrugStandardComplete |
Calculate the Standard Molecular Fingerprints (in Complete Format) |
extrDrugTPSA |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugVABC |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugVAdjMa |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugWeight |
Calculates Atom Additive logP and Molar Refractivity Values Descriptor |
extrDrugWeightedPath |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugWHIM |
Calculate Holistic Descriptors Described by Todeschini et al. |
extrDrugWienerNumbers |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrDrugZagrebIndex |
Topological Descriptor Characterizing the Carbon Connectivity in Terms of Hybridization |
extrPCMBLOSUM |
Generalized BLOSUM and PAM Matrix-Derived Descriptors |
extrPCMDescScales |
Scales-Based Descriptors with 20+ classes of Molecular Descriptors |
extrPCMFAScales |
Generalized Scales-Based Descriptors derived by Factor Analysis |
extrPCMMDSScales |
Generalized Scales-Based Descriptors derived by Multidimensional Scaling |
extrPCMPropScales |
Generalized AA-Properties Based Scales Descriptors |
extrPCMScaleGap |
Scales-Based Descriptors derived by Principal Components Analysis (with Gap Support) |
extrPCMScales |
Generalized Scales-Based Descriptors derived by Principal Components Analysis |
extrProtAAC |
Amino Acid Composition Descriptor |
extrProtAPAAC |
Amphiphilic Pseudo Amino Acid Composition Descriptor |
extrProtCTDC |
CTD Descriptors - Composition |
extrProtCTDCClass |
CTD Descriptors - Composition (with Customized Amino Acid Classification Support) |
extrProtCTDD |
CTD Descriptors - Distribution |
extrProtCTDDClass |
CTD Descriptors - Distribution (with Customized Amino Acid Classification Support) |
extrProtCTDT |
CTD Descriptors - Transition |
extrProtCTDTClass |
CTD Descriptors - Transition (with Customized Amino Acid Classification Support) |
extrProtCTriad |
Conjoint Triad Descriptor |
extrProtCTriadClass |
Conjoint Triad Descriptor (with Customized Amino Acid Classification Support) |
extrProtDC |
Dipeptide Composition Descriptor |
extrProtFPGap |
Amino Acid Properties Based Scales Descriptors (Protein Fingerprint) with Gap Support |
extrProtGeary |
Geary Autocorrelation Descriptor |
extrProtMoran |
Moran Autocorrelation Descriptor |
extrProtMoreauBroto |
Normalized Moreau-Broto Autocorrelation Descriptor |
extrProtPAAC |
Pseudo Amino Acid Composition Descriptor |
extrProtPSSM |
Compute PSSM (Position-Specific Scoring Matrix) for given protein sequence |
extrProtPSSMAcc |
Profile-based protein representation derived by PSSM (Position-Specific Scoring Matrix) and auto cross covariance |
extrProtPSSMFeature |
Profile-based protein representation derived by PSSM (Position-Specific Scoring Matrix) |
extrProtQSO |
Quasi-Sequence-Order (QSO) Descriptor |
extrProtSOCN |
Sequence-Order-Coupling Numbers |
extrProtTC |
Tripeptide Composition Descriptor |