How do I search with the Query builder?
Last updated on May 09, 2024
You can create complex queries with the Query builder by:
- Using a free form approach (find, select and combine search fields, recent searches and saved searches as desired).
- Using search forms available on the forms tab of the Query builder.
For more information, also view our video tutorial on using the query builder.
How
Follow these steps to use the Query builder:
1. In Reaxys, click the tab ‘Query builder’.
2. Populate the Drag & Drop search field.
Use one or a combination of these options:
- Drag & Drop
Click the tabs in the menu on the right-hand side of the screen to switch between fields, forms and your history of recent or saved searches.
- Fields: Click Reaxys or one of the integrated databases to see the search fields available. For Reaxys Target and Bioactivity (RTB), click Target and Bioactivity to display fields specific to Medicinal Chemistry
- Forms: Use a Predefined Form such as Physical Data, Reactions, etc. Learn more about the available forms
If necessary click 'Reaxys Forms' to see the list of available forms. A form is a combined list of search fields most frequently used to search for one of the below products, qualities or properties:
- Documents
- Natural Product
- Physical Data
- Reactions
- Spectra
- Substances
Click 'Reaxys Target and Bioactivity Forms' to see the list of Medicinal Chemistry related forms. A form is a combined list of search fields most frequently used to search for one of the below properties:
- Affinity on target
- Cell proliferation: inhibition
- Selectivity Profile
- Animal models: Tumor xenografts
- Bioavailability
- Volume of distribution
- Absorption (Cmax, Cavg)
- Caco-2 permeability
- Caco-2 Active transport
- Blood-Brain Barrier Penetration (BBB)
- Cytotoxicity
- hERG inhibition
- Cytochrome inhibition (CYP3A4)
- Metabolism by cytochrome (CYP2D6)
- Microsomal stability
- Protein binding (blood, plasma)
- Cardiotoxicity
- History: Use a Recent (in the same session) or Saved search.
- Search for properties by using the search bar labeled 'Search properties' found just above the Fields, Forms and History panel. Start entering the property you are looking for. Autocomplete will provide you with suggestions (e.g. Start typing 'boiling' and Reaxys will suggest the field 'Boiling Point' and the form 'Physical Data') . You can drag and drop the required property from the list.
Please note: After dragging and dropping your search in the query builder, further define your search criteria by ticking the 'Find any' box or:- Click 'Show fields' to see relevant properties
- Enter specific search criteria such as a numeric value/range e.g. '<= 100', '= 120' or '= 80-100'
- Enter specific search criteria such as a solvent e.g. 'is phenol' or 'contains phenol'
- Select one of the Quick Querylets under the search button
- Structure: Quick access to the Marvin JS Structure editor. For more information on how to use the Marvin JS structure editor, view our Structure Drawing Workflow or our How to create a Structure Drawing in Reaxys Video Tutorial
- Molecular Formula: Quick access to entering a molecular formula. The querylet includes the ability to specify a search string for a molecular formula using the conditions: 'ends with', 'is', 'contains' or 'starts with'.
- Click the 'Periodic Table' icon to help build the molecular formula
- Click the 'Molecular Formula Lookup' icon to view all index entries for Molecular Formulas. You can view lists from the various databases: Reaxys, PubChem, eMolecules, LabNetwork or SigmaAldrich.
- CAS RN: Quick access to entering a CAS Registry Number*. The querylet includes the ability to specify a search string for a CAS Registry Number using the conditions: 'ends with', 'is', 'contains' or 'starts with' entered string of characters.
- Click the 'Preferred RN Lookup' icon to view all index entries for CAS Registry Numbers.
* The CAS Registry Numbers® are the intellectual property of the American Chemical Society, Chemical Abstracts Service (CAS) division; and are used by Elsevier with the express permission of CAS. Redistribution of CAS Registry Numbers is permitted only with the prior written permission of CAS.
- Doc Index: Quick access to the Document Basic Index querylet which searches titles, abstracts and keywords. The querylet includes the ability to specify a search string for text using the conditions: 'ends with', 'is', 'contains' or 'starts with' entered string of characters.
- Click the 'Document Basic Index Lookup' icon to view all index entries for searching single words in Document Records.
3. Customize your search query.
Use one or a combination of these options:
- Use search operators: If you have dropped multiple fields, forms or items from your history in the Drag & Drop field, they will be divided by a drop-down with search operators. These will be set to ‘AND’ by default. Set for the desired search by clicking 'AND'. Learn more about search operators.
- Use wildcards: The Query builder supports the use of '*' and '?' as wildcard characters. Learn more about wildcards.
- Remove fields you have added: To remove a field, click the 'X' at the top right side of the specific field. To remove all fields you have added, click ‘Delete’ in the top menu.
- Reset all fields you have added: Click ‘Reset Form’ in the top menu.
4. Once you are satisfied with your query, you can:
- Save your query: Click ‘Save’ in the top menu. Your query will download to your PC or device in *.json format.
- Execute your Search: Click the buttons in the top menu (Reactions, Substances, or Documents) and select the desired target content.
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