| 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. |
| 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 |