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Specify a molecule using curated data: | Run |
caffeine | CHEMICAL |
Specify common molecules by their common names: | Run |
Specify a molecule using systematic chemical names: | Run |
Specify a molecule using a SMILES string: | Run |
caffeine | CHEMICAL |
Import molecular data from standard file formats: | Run |
Specify a molecule using lists of atoms and bonds: | Run |
Use MoleculeValue | Run |
You can directly extract properties of molecules as well: | Run |
Obtain properties that depend on specific atoms or bonds in a molecule: | Run |
Obtain a list of isomers in a specified form: | Run |
Create a 2D representation of a molecule: | Run |
Highlight and label specified molecular patterns: | Run |
Create a rotatable 3D representation of a molecule: | Run |
Balance an unbalanced chemical reaction: | Run |
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Interpret a string as a chemical formula: | Run |
Interpret common names of compounds to generate a balanced reaction: | Run |
A PatternReaction | Run |
Represent a chemical reaction using a rule for lists of patterns: | Run |
You can also specify a chemical reaction using a SMARTS string: | Run |
Specify a PatternReaction | Run |
Create a list of molecules to be the reactants (each molecule must be explicitly present in the list): | Run |
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Find the molecules produced by applying a reaction to a list of reactants: | Run |
Quickly visualize the products and reactants in 3D: | Run |
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