returns a list of molecules with the same chemical formula as chem.
finds isomers of chem and returns them in the given form.
- Isomers are molecules with the same chemical formula but different structures. For example, cyclohexane and hex-2-ene both have the formula C6H12:
- Possible forms for chem include:
ChemicalFormula[…] a chemical formula Molecule[…] a molecule Entity["Chemical",…] a chemical entity BioSequence[…] a biomolecular sequence
- FindIsomers draws on several sources, including the Wolfram Knowledgebase and external services such as "PubChem". Only those molecules that have entries in these databases will be returned.
- If no result is found, FindIsomers will return an empty list.
- form should be one of the following:
"Molecule" a list of molecules "Entity" entities of the type "Chemical" "PubChemCompoundID" a list of ExternalIdentifier objects "SMILES" a list of SMILES strings
Examplesopen allclose all
Basic Examples (2)
Possible Issues (1)
Some chemical formulas will not have any entry in the sources queried by FindIsomers:
Wolfram Research (2021), FindIsomers, Wolfram Language function, https://reference.wolfram.com/language/ref/FindIsomers.html.
Wolfram Language. 2021. "FindIsomers." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/FindIsomers.html.
Wolfram Language. (2021). FindIsomers. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/FindIsomers.html