Marie
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This website presents a proof-of-concept search engine system for accessing chemical data from the World Avatar Knowledge Graph. The Knowledge Graphs offers inter-connected data from chemical kinetics to chemical and physical properties of species and many other domains.

Marie offers multiple interaction modes to cater to different user needs:

  • Type a question into the field below to use the search engine or select one of the provided sample questions.
  • Utilize the Advanced Search page to conduct detailed searches by defining filters and ranges for specific properties. This mode provides a more targeted approach to data retrieval.
  • The Explore page enables users to visually explore and plot properties of chemical species and zeolites, offering a graphical representation of data for enhanced analysis.

Please note that Marie is still under development and the accuracy of the results will increase with further refinement of the underlying ontologies. We welcome feedback and suggestions as we work to refine and expand its capabilities.

Example Questions

  • What is the charge of benzene?
  • How many hydrogen bonds can an ethylene glycol molecule accept and donate?
  • What chemical classifications does caffeine fall under?
  • Find all uses of 3-amino-2-propanol
  • Show me all species with molecular formula C6H8O6
  • What are some compounds with molecular weight around 150 g/mol?
  • What are some applications of alkanes?
  • Find me all aliphatic amines
  • What are solubilities in water of various amino acids?
  • List all alcohol solvents with a boiling point between 100°C and 120°C
  • Show me the 3D structure of reduced coenzyme M

This content was developed, tested, and documented by the following commercial and academic partners. For more information on each institution, please follow the links listed below.

CMCL Innovations logo
CMCL Innovations
cmclinnovations.com
Computational Modelling Group logo
Computational Modelling Group
como.ceb.cam.ac.uk
Cambridge CARES logo
Cambridge CARES
cares.cam.ac.uk

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