Wolfram Chemistry Documentation
Wolfram Chemistry is an integrated part of Wolfram Language. The full system contains over 6,000 built-in functions covering all areas of computation—all carefully integrated so they work perfectly together.


Full Scope & Documentation



Molecule ▪ Atom ▪ Bond ▪ ChemicalReaction ▪ ReactionBalance ▪ StereochemistryElements ▪ FindMoleculeSubstructure ▪ ChemicalFormula ▪ MoleculePattern ▪ ReactionBalanceQ ▪ MoleculeContainsQ ▪ MoleculeFreeQ ▪ MoleculeMatchQ ▪ MoleculeSubstructureCount ▪ MoleculeModify ▪ MoleculeValue ▪ MoleculePlot3D ▪ AtomLabels ▪ BondLabels ▪ MoleculeGraph ▪ ConnectedMoleculeComponents ▪ MoleculeProperty ▪ AtomList ▪ BondList ▪ BondCount ▪ AtomCount ▪ BondQ ▪ FindIsomers ▪ MoleculeDraw ▪ MoleculeRecognize ▪ MoleculeName ▪ MoleculeAlign ▪ MoleculeMaximumCommonSubstructure ▪ "MOL" ▪ "MOL2" ▪ "SDF" ▪ "XYZ" ▪ "Cube" ▪ "PDB" ▪ "FASTA" ▪ "FASTQ" ▪ "SMILES" ▪ "Chemical" ▪ "Element" ▪ Graph ▪ BioMolecule ▪ IncludeHydrogens ▪ AtomCoordinates ▪ AtomDiagramCoordinates ▪ IncludeAromaticBonds ▪ MoleculeQ ▪ MoleculePlot ▪ MoleculeMesh ▪ BioMoleculePlot3D ▪ Style ▪ RGBColor ▪ Opacity ▪ EdgeForm ▪ FaceForm ▪ PlotTheme ▪ ConnectedMoleculeQ ▪ FindCycle ▪ FindPath ▪ FindHamiltonianPath ▪ BioMoleculeValue ▪ ValenceErrorHandling ▪ ReactionBalancedQ ▪ PatternReaction ▪ ApplyReaction ▪ ChemicalInstance ▪ ChemicalConvert ▪ Import ▪ Export ▪ ServiceConnect ▪ ServiceExecute ▪ NBodySimulation ▪ EntityValue ▪ Entity ▪ EntityClass ▪ EntityList ▪ RandomEntity ▪ EntityFunction ▪ Quantity ▪ Around ▪ UnitConvert ▪ UnitSimplify ▪ UnitDimensions ▪ EntityInstance ▪ ThermodynamicData ▪ LatticeData ▪ SpectralLineData ▪ PlanckRadiationLaw ▪ StoppingPowerData ▪ FormulaData ▪ NDSolve ▪ CellularAutomaton ▪ BioSequence ▪ String ▪ BioSequenceQ ▪ BioSequenceComplement ▪ BioSequenceReverseComplement ▪ BioSequenceTranscribe ▪ BioSequenceTranslate ▪ BioSequenceBackTranslateList ▪ BioSequenceInstances ▪ RandomInstance ▪ BioSequencePlot ▪ SequenceAlignment ▪ Diff ▪ SmithWatermanSimilarity ▪ NeedlemanWunschSimilarity ▪ EditDistance ▪ DamerauLevenshteinDistance ▪ HammingDistance ▪ SimilarityRules ▪ LongestCommonSequence ▪ LongestCommonSequencePositions ▪ LongestCommonSubsequence ▪ LongestCommonSubsequencePositions ▪ Subsequences ▪ StringLength ▪ StringPart ▪ StringTake ▪ StringDrop ▪ StringInsert ▪ StringReverse ▪ StringRotateLeft ▪ StringRotateRight ▪ StringPadLeft ▪ StringPadRight ▪ StringPartition ▪ StringJoin ▪ StringSplit ▪ StringPosition ▪ StringCases ▪ StringCount ▪ StringContainsQ ▪ StringFreeQ ▪ StringMatchQ ▪ StringStartsQ ▪ StringEndsQ ▪ StringReplace ▪ StringReplacePart ▪ StringRepeat ▪ StringDelete ▪ BioSequenceModify ▪ GenomeLookup ▪ Dendrogram ▪ ClusterClassify ▪ TreePlot ▪ SystemModel ▪ SystemModelSimulate ▪ SystemModelPlot ▪ LinearModelFit ▪ DistributionFitTest ▪ LogitModelFit ▪ EventData ▪ SurvivalModelFit ▪ CoxModelFit ▪ Classify ▪ Predict ▪ AnomalyDetection ▪ AnatomyPlot3D ▪ AnatomyStyling ▪ AnatomySkinStyle ▪ ClipPlanes ▪ HumanGrowthData ▪ FetalGrowthData ▪ MortalityData ▪ NetModel ▪ MassTransportPDEComponent ▪ MassConcentrationCondition ▪ MassFluxValue ▪ MassImpermeableBoundaryValue ▪ MassOutflowValue ▪ MassSymmetryValue ▪ MassTransferValue ▪