Chemical Structure Search Options in the MolPort Supplier Catalog Database

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While most chemists using our research chemical database look for a particular structure needed in their laboratory, sometimes other ways to identify compounds for purchasing can come in handy. We offer powerful chemical query types.


Perfect Match


Use this method to find a supplier for a specific molecule. The search engine will identify molecules in the database precisely as you drew it. This search type does not support query properties. For example, you can't use the following query to find all halogen-substituted cyclopentanes:

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Picture 1. Query to find halogen-substituted cyclopentanes

Use exact match instead.



Exact Match


Use this method to find a supplier for a specific molecule when certain bond and atom properties can vary. Unlike with perfect match, you can use query properties.



Exact Fragment Match


This type of matching can be very handy when searching for salts and mixtures. One of the fragments in the mixture has to be exactly as you specify (matched by exact match described above). However, there can be other components in the mixture that do not match the structure you entered. These additional components are not connected with a bond to the structure that you draw with the chemical editor.



Substructure Search


Use this option to find molecules where the structure that you specify is a portion of a larger structure.



Superstructure Search


This search option works opposite the substructure search. You will find smaller molecules that are a portion of the structure that you specify.



Similarity Search


This search option enables finding similar molecules to the one you have drawn.



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Picture 2. Structure for similarity search



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Picture 3. Search results


The following table illustrates which structures would be found by each search option in an example database that contains five structures.

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this structure will be found

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this structure will not be found


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Maximum Matches


Choose maximum results for your query. We will display up to 100 hits. If you would like to see more results, increase this setting. You can view as many as 1000 structures.


2019 MolPort, v3.07, release date 17-07-2019 14:00 (+0200). All rights reserved.
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