MoleculeRecognize

recognizes a molecule in image and returns it as a Molecule object.

Details

MoleculeRecognize works with grayscale and color images.
Hydrogen atoms not explicitly included in the image are not added to the resulting molecule, but are instead treated as implicit. MoleculeModify["AddHydrogens"][mol] can be used to make them explicit for the molecule mol.
image should contain one or more 2D structure diagrams, returning a single Molecule object. Use ConnectedMoleculeComponents to retrieve the individual molecules.
Coordinates detected from the image are stored in the AtomDiagramCoordinates option in the returned expression.
Stereochemistry depicted by wedged and dashed bonds is automatically detected and stored in the StereochemistryElements option.

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Recognize a molecule in an image:

Use MoleculePlot to visualize the result:

Recognize multiple molecules in an image:

Find corresponding entities:

Detect a molecule in a grayscale image:

This works equally well with a dark background:

The resulting molecules are equivalent:

Detect a molecule in a color image:

Common functional group abbreviations are recognized and expanded:

Delocalized ‐electrons represented as a circle are detected:

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