Tautomers generator
type: Algorithm
instance of: tautomergen
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026

ToxTree: Skin sensitisation alerts (M. Cronin)
type: Rules
instance of: toxtreeskinsensitisation
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

pKa Prediction doi:10.1021/ci8001815
type: Rules
instance of: pkaSMARTS
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Extended Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.ExtendedFingerprinter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Structure Alerts for the in vivo micronucleus assay in rodents
type: Rules
instance of: toxtreemic
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Volume descriptor.
type: DescriptorCalculation
instance of: vabc
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Largest Pi system
type: DescriptorCalculation
instance of: largestPiSystem
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

A Library for Large Linear Classification
type: SingleTarget
date: Mon Apr 27 22:32:34 EEST 2026
format: WEKA
type: Algorithm
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Classification
type: Supervised
type: EagerLearning

Builds a model with all dependencies
type: Algorithm
instance of: superbuilder
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026

Weighted path descriptors (Randic) characterizing molecular branching.
type: DescriptorCalculation
instance of: weightedPath
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Hydrogen Bond donors
type: DescriptorCalculation
instance of: hBondDonors
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Kier and Hall kappa molecular shape indices
type: DescriptorCalculation
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Generate InChI
type: Algorithm
instance of: inchi
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026

Generate SMARTS accelerator data
type: Algorithm
instance of: db smartprop
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026

Substructure Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.SubstructureFingerprinter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

K-nearest neighbours classifier. Can select appropriate value of K based on cross-validation.
type: LazyLearning
format: WEKA
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Algorithm
date: Mon Apr 27 22:32:34 EEST 2026
type: Classification
type: SingleTarget
type: Supervised

Number of pathways and assays in OpenPhacts
type: DescriptorCalculation
instance of: OPSCOUNT
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Molecular Distance Edge
type: DescriptorCalculation
instance of: mde
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Applicability domain: PCA ranges
type: Algorithm
instance of: ad pcaRanges
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

Difference between atomic polarizabilities of all bonded atoms
type: DescriptorCalculation
instance of: bpol
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

EState Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.EStateFingerprinter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

MOPAC: optimizes 3D structure (starting structure by Balloon)
type: Algorithm
instance of: MOPACdescriptors
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: MOPAC
date: Mon Apr 27 22:32:34 EEST 2026

Human experts input
type: Algorithm
instance of: expert input
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WWW_FORM
date: Mon Apr 27 22:32:34 EEST 2026

ATS autocorrelation descriptor polarizability
type: DescriptorCalculation
instance of: autoCorrelationPolarizability
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

InChI 1.03
type: DescriptorCalculation
instance of: inchi
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Applicability domain: Mahalanobis distance
type: Algorithm
instance of: ad distanceMahalanobis
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

Number of atoms
type: DescriptorCalculation
instance of: atomCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Generates 2D coordinates
type: Algorithm
instance of: Structure2D
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: Structure2D
date: Mon Apr 27 22:32:34 EEST 2026

ToxTree: Skin irritation
type: Rules
instance of: toxtreeskin
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Michael acceptors
type: Rules
instance of: toxtreemichaelacc
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Regression: Linear regression
type: Regression
format: WEKA
type: Algorithm
type: EagerLearning
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Supervised
date: Mon Apr 27 22:32:34 EEST 2026
type: SingleTarget

IB1-type classifier. Uses a simple distance measure to find the training instance closest to the given test instance, and predicts the same class as this training instance.
type: SingleTarget
format: WEKA
type: Classification
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: LazyLearning
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
type: Supervised

ZagrebIndex
type: DescriptorCalculation
instance of: zagrebIndex
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Find
type: Algorithm
instance of: finder
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026

MOPAC descriptors (Energy, EHOMO, ELUMO,etc.)
type: DescriptorCalculation
instance of: MOPACdescriptors
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Bayes Network learning using various search algorithms and quality measures.
type: SingleTarget
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
type: EagerLearning
format: WEKA
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Supervised
type: Classification

Jaoa Gama (2004). Functional Trees. Machine Learning, Vol. 55(3),
type: Algorithm
type: EagerLearning
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
date: Mon Apr 27 22:32:34 EEST 2026
type: Supervised
format: WEKA
type: Classification
type: SingleTarget

Least median squared linear regression. ISBN-13:978-0471488552
type: Supervised
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: SingleTarget
type: EagerLearning
type: Algorithm
date: Mon Apr 27 22:32:34 EEST 2026
type: Regression
format: WEKA

Largest chain
type: DescriptorCalculation
instance of: largestChain
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Generate atomenvironments
type: Algorithm
instance of: db atomenvironments
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026

A fragment count descriptor that uses e-state fragments
type: DescriptorCalculation
instance of: kierHallSmarts
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Chi path descriptor
type: DescriptorCalculation
instance of: chiPath
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

CPSA descriptor
type: DescriptorCalculation
instance of: CPSA
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Benigni/Bossa rules for carcinogenicity and mutagenicity
type: Rules
instance of: toxtreecarc
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

FMF descriptor characterizing complexity of a molecule.
type: DescriptorCalculation
instance of: fmf
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Lipinski Rule of Five
type: DescriptorCalculation
instance of: lipinskifailures
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Chi chain descriptor
type: DescriptorCalculation
instance of: chiChain
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

DRAGON6 descriptors
type: DescriptorCalculation
instance of: dragon
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Evaluates length over breadth descriptors
type: DescriptorCalculation
instance of: lengthOverBreadth
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Number of atoms in the longest aliphatic chain
type: DescriptorCalculation
instance of: longestAliphaticChain
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Multilayer Perceptron
type: Supervised
type: Classification
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
type: SingleTarget
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: EagerLearning
type: Regression

CrossSectionalDiameter
type: DescriptorCalculation
instance of: CrossSectionalDiameter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Fragment complexity
type: DescriptorCalculation
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

TPSA descriptor
type: DescriptorCalculation
instance of: tpsa
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

START biodegradation and persistence plug-in
type: Rules
instance of: toxtreestart
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

BCUT descriptors
type: DescriptorCalculation
instance of: BCUT
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Number of aromatic bonds
type: DescriptorCalculation
instance of: aromaticBondsCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Applicability domain: Leverage
type: Algorithm
instance of: ad leverage
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

The graph diameter D is defined as the largest vertex eccentricity in the graph
type: DescriptorCalculation
instance of: petitjeanNumber
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Hidden Naive Bayes doi:10.1109/TKDE.2008.234
type: Classification
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
type: Algorithm
type: Supervised
type: SingleTarget
date: Mon Apr 27 22:32:34 EEST 2026
type: EagerLearning

Number of bonds
type: DescriptorCalculation
instance of: bondCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Calls a remote service
type: Algorithm
instance of: superservice
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026

ToxTree: Cramer rules
type: Rules
instance of: toxtreecramer
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: In vitro mutagenicity (Ames test) alerts by ISS
type: Rules
instance of: toxtreeames
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Chi path cluster descriptor
type: DescriptorCalculation
instance of: chiPathCluster
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Wiener Path number and Wiener Polarity Number
type: DescriptorCalculation
instance of: wienerNumbers
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Naive Bayes classifier
type: Algorithm
date: Mon Apr 27 22:32:34 EEST 2026
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Classification
type: SingleTarget
type: EagerLearning
type: Supervised
format: WEKA

SMO: Sequential Minimal Optimization algorithm for training a Support Vector classifier
type: SingleTarget
type: EagerLearning
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
format: WEKA
type: Classification
type: Supervised
publisher: https://apps.ideaconsult.net/ambit2/algorithm/

Logistic regression
type: Algorithm
type: Supervised
type: Classification
type: SingleTarget
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
type: EagerLearning
date: Mon Apr 27 22:32:34 EEST 2026

Generate fingerprints
type: Algorithm
instance of: db fingerprints
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026

Classification: Decision tree J48
type: EagerLearning
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Classification
date: Mon Apr 27 22:32:34 EEST 2026
format: WEKA
type: SingleTarget
type: Supervised
type: Algorithm

Applicability domain: Euclidean distance
type: Algorithm
instance of: ad distanceEuclidean
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

Classification: Decision rules PART
type: Supervised
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
type: Algorithm
type: Classification
type: SingleTarget
date: Mon Apr 27 22:32:34 EEST 2026
type: EagerLearning

ATS autocorrelation descriptor charge
type: DescriptorCalculation
instance of: autoCorrelationCharge
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

XLogP
type: DescriptorCalculation
instance of: xlogP
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

The number of basic groups.
type: DescriptorCalculation
instance of: acidicGroupCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

WHIM descriptors
type: DescriptorCalculation
instance of: WHIM
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Kekulization verifier
type: DescriptorCalculation
instance of: kekulizationverifier
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Verhaar scheme for predicting toxicity mode of action
type: Rules
instance of: toxtreeverhaar
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Extended Cramer rules
type: Rules
instance of: toxtreecramer2
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Radial Basis Function network
type: Supervised
format: WEKA
type: Algorithm
type: Regression
date: Mon Apr 27 22:32:34 EEST 2026
type: EagerLearning
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: SingleTarget

MACCS Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.MACCSFingerprinter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Hydrogen Bond acceptors
type: DescriptorCalculation
instance of: hBondacceptors
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

The number of acidic groups.
type: DescriptorCalculation
instance of: basicGroupCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

DMNBtext: Discriminative Multinomial Naive Bayes classifier
type: Algorithm
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Classification
format: WEKA
type: SingleTarget
type: EagerLearning
date: Mon Apr 27 22:32:34 EEST 2026
type: Supervised

MOPAC: optimizes 3D structure
type: Algorithm
instance of: MOPACdescriptors
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: MOPAC
date: Mon Apr 27 22:32:34 EEST 2026

MOPAC: optimizes 3D structure (starting structure by OpenBabel)
type: Algorithm
instance of: MOPACdescriptors
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: MOPAC
date: Mon Apr 27 22:32:34 EEST 2026

ToxTree: Revised Cramer Decision Tree
type: Rules
instance of: toxtree rcdt
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Number of each amino acid in an atom container
type: DescriptorCalculation
instance of: aminoAcidsCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Vertex adjacency information (magnitude)
type: DescriptorCalculation
instance of: vAdjMa
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Atomic polarizabilities
type: DescriptorCalculation
instance of: apol
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Reports the fraction of sp3 carbons to sp2 carbons
type: DescriptorCalculation
instance of: hybratio
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: ILSI/Kroes decision tree for TTC
type: Rules
instance of: toxtreekroes
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

OECD Categories
type: Rules
instance of: categories
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Saturation Checker verifier
type: DescriptorCalculation
instance of: saturationcheckerverifier
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Not So Naive Bayes: Aggregating One-Dependence Estimators doi:10.1007/s10994-005-4258-6
type: EagerLearning
format: WEKA
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Algorithm
type: Classification
type: SingleTarget
date: Mon Apr 27 22:32:34 EEST 2026
type: Supervised

Moment of inertia and radius of gyration
type: DescriptorCalculation
instance of: momentOfInertia
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Pace Regression http://hdl.handle.net/10289/2131
type: EagerLearning
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
type: Regression
type: Supervised
type: SingleTarget

Sleeps for 'delay' milliseconds, returns 'dataset_uri' or 'model_uri', specified on input. For testing purposes
type: Algorithm
instance of: mockup
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026

Applicability domain: Fingerprints, Tanimoto distance to a consensus fingerprints
type: Algorithm
instance of: ad fptanimoto
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

Applicability domain: Fingerprints, Missing fragments
type: Algorithm
instance of: ad fpmissingfragments
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

ToxTree: Protein binding
type: Rules
instance of: toxtreeproteinbinding
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Isotonic Regression
type: Algorithm
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Regression
type: EagerLearning
date: Mon Apr 27 22:32:34 EEST 2026
type: SingleTarget
type: Supervised
format: WEKA

A topological descriptor combining distance and adjacency information
type: DescriptorCalculation
instance of: eccentricConnectivityIndex
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Prediction of logP based on the number of carbon and hetero atoms
type: DescriptorCalculation
instance of: mannholdLogP
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Applicability domain: Cityblock distance
type: Algorithm
instance of: ad distanceCityBlock
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

VEGA models
type: Supervised
type: Learning
instance of: www.vegahub.eu
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WWW_FORM
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Structure quality workflow
type: Algorithm
instance of: db structurequality
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026

Number of aromatic atoms
type: DescriptorCalculation
instance of: aromaticAtomsCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Replaces the current structure with the preferred one
type: Algorithm
instance of: StructureSelector
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026

Classification: Decision table
type: Supervised
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
format: WEKA
type: SingleTarget
type: Classification
type: EagerLearning

MolecularWeight
type: DescriptorCalculation
instance of: MolecularWeight
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

AtomTypes verifier
type: DescriptorCalculation
instance of: atomtypeverifier
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Characterizing the mass distribution of the molecule
type: DescriptorCalculation
instance of: gravitationalIndex
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

SizeDiameter
type: DescriptorCalculation
instance of: Size
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

MaximumDiameter
type: DescriptorCalculation
instance of: MaximumDiameter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Petitjean shape indices
type: DescriptorCalculation
instance of: petitjeanShapeIndex
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Topological descriptor characterizing the carbon connectivity
type: DescriptorCalculation
instance of: carbonTypes
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Site Of Metabolism Estimator (SOME) Bioinformatics (2009) 25(10):1251-1258.
type: DescriptorCalculation
instance of: SOME
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

SMOreg: Sequential Minimal Optimization algorithm for training a Support Vector regression
type: Supervised
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm
type: SingleTarget
type: EagerLearning
type: Regression
publisher: https://apps.ideaconsult.net/ambit2/algorithm/

Constructs random forest. doi:10.1023/A:1010933404324
type: SingleTarget
type: Supervised
type: Classification
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: EagerLearning
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Eye irritation
type: Rules
instance of: toxtreeeye
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

PubChem Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.PubChemFingerprinter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Voted Perceptron algorithm doi:10.1023/A:1007662407062
type: EagerLearning
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Algorithm
type: Regression
type: Supervised
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: SingleTarget

ALogP
type: DescriptorCalculation
instance of: ALOGP
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Principal Component Analysis
type: EagerLearning
type: FeatureSelection
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: Verhaar scheme (modified) for predicting toxicity mode of action
type: Rules
instance of: toxtreeverhaar2
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Generate structure keys
type: Algorithm
instance of: db struckeys
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026

Number of rotatable bonds
type: DescriptorCalculation
instance of: rotatableBondsCount
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ToxTree: DNA binding
type: Rules
instance of: toxtreednabinding
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Bayesian Logistic Regression. doi:10.1198/004017007000000245
type: Algorithm
format: WEKA
type: Supervised
date: Mon Apr 27 22:32:34 EEST 2026
type: SingleTarget
type: EagerLearning
type: Classification
publisher: https://apps.ideaconsult.net/ambit2/algorithm/

Chi cluster descriptor
type: DescriptorCalculation
instance of: chiCluster
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Hybridization Fingerprints
type: DescriptorCalculation
instance of: org.openscience.cdk.fingerprint.HybridizationFingerprinter
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

Applicability domain: nonparametric density estimation
type: Algorithm
instance of: ad nparamdensity
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: COVERAGE_SERIALIZED
date: Mon Apr 27 22:32:34 EEST 2026

Multinomial Naive Bayes classifier
type: Algorithm
type: SingleTarget
date: Mon Apr 27 22:32:34 EEST 2026
format: WEKA
type: EagerLearning
type: Supervised
type: Classification
publisher: https://apps.ideaconsult.net/ambit2/algorithm/

Winnow and Balanced Winnow algorithms doi:10.1007/BF00116827
type: Algorithm
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Supervised
type: Classification
format: WEKA
type: SingleTarget
type: EagerLearning
date: Mon Apr 27 22:32:34 EEST 2026

Partial Least Squares ISBN:0952866625
type: Regression
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
type: Supervised
type: SingleTarget
type: Algorithm
date: Mon Apr 27 22:32:34 EEST 2026
type: EagerLearning
format: WEKA

Clustering: k-means
type: LazyLearning
type: SingleTarget
type: Clustering
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

ATS autocorrelation descriptor mass
type: DescriptorCalculation
instance of: autoCorrelationMass
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: WEKA
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm

SmartCYP: Cytochrome P450-Mediated Drug Metabolism
type: Rules
instance of: toxtreesmartcyp
publisher: https://apps.ideaconsult.net/ambit2/algorithm/
format: JAVA_CLASS
date: Mon Apr 27 22:32:34 EEST 2026
type: Algorithm