Heteroaromatic Rings of the Future
The VEHICLe database, short for Virtual Exploratory heterocyclic library, contains all possible aromatic molecules meeting the following constraints: 1) neutral, 2) composed only of carbon, nitrogen, oxygen, sulfur, and hydrogen, 3) all atoms in rings except hydrogen and carbonyl oxygens 4) either 1 or 2 aromatic rings. The majority of these compounds have not yet been synthesized in the laboratory.
Examples
Basic Examples
Retrieve the resource:
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Retrieve the default content:
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Register the EntityStore:
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Analysis
Find the total number of chemicals:
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Get the available properties for the entity store:
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Quickly view the properties of a random entity:
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Visualization
Get an element tally for the entire dataset:
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View this in a pie chart:
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External Links
Bibliographic Citation
Wolfram Research,
"VEHICLe"
from the Wolfram Data Repository
(2017) https://doi.org/10.24097/wolfram.50131.data
Data Resource History
Publisher Information