MoleculeContainsQ
✖
MoleculeContainsQ
returns True if patt is a substructure of molecule, and False otherwise.
represents an operator form of MoleculeContainsQ that can be applied to a molecule.
Details and Options

- patt should be one of the following forms:
-
MoleculePattern[…] a valid molecule pattern Atom[…] a pattern for a single atom Bond[{a1,a2}] a bond between atoms with specified patterns
Examples
Basic Examples (4)Summary of the most common use cases
Test for the presence of oxygen atoms:

https://wolfram.com/xid/0g31ks9rn1slleybn-ljpibz


https://wolfram.com/xid/0g31ks9rn1slleybn-5cliaz

Select molecules with a carboxylic acid group:

https://wolfram.com/xid/0g31ks9rn1slleybn-t0ot09

Test for the presence of carbon-sulfur bonds in a molecule:

https://wolfram.com/xid/0g31ks9rn1slleybn-s3w1zd

The bond order can be specified or not:

https://wolfram.com/xid/0g31ks9rn1slleybn-0rloly


https://wolfram.com/xid/0g31ks9rn1slleybn-qrbaw5


https://wolfram.com/xid/0g31ks9rn1slleybn-ua4sue

Wolfram Research (2019), MoleculeContainsQ, Wolfram Language function, https://reference.wolfram.com/language/ref/MoleculeContainsQ.html.
Text
Wolfram Research (2019), MoleculeContainsQ, Wolfram Language function, https://reference.wolfram.com/language/ref/MoleculeContainsQ.html.
Wolfram Research (2019), MoleculeContainsQ, Wolfram Language function, https://reference.wolfram.com/language/ref/MoleculeContainsQ.html.
CMS
Wolfram Language. 2019. "MoleculeContainsQ." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/MoleculeContainsQ.html.
Wolfram Language. 2019. "MoleculeContainsQ." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/MoleculeContainsQ.html.
APA
Wolfram Language. (2019). MoleculeContainsQ. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/MoleculeContainsQ.html
Wolfram Language. (2019). MoleculeContainsQ. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/MoleculeContainsQ.html
BibTeX
@misc{reference.wolfram_2025_moleculecontainsq, author="Wolfram Research", title="{MoleculeContainsQ}", year="2019", howpublished="\url{https://reference.wolfram.com/language/ref/MoleculeContainsQ.html}", note=[Accessed: 06-June-2025
]}
BibLaTeX
@online{reference.wolfram_2025_moleculecontainsq, organization={Wolfram Research}, title={MoleculeContainsQ}, year={2019}, url={https://reference.wolfram.com/language/ref/MoleculeContainsQ.html}, note=[Accessed: 06-June-2025
]}