Marie

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. Please note that Marie is still under development and the accuracy of the results will increase with further refinement of the underlying ontologies.

To use the Marie search engine, type a question into the field below, or select one of the provided sample questions.

Common units with special characters: °C °F

Example Questions

To search for properties, chemical classes, uses, and identifiers of molecules

  • What is the charge of benzene?
  • ethanol boils at what temperature?
  • How many hydrogen bond acceptors does H2O have?
  • CH3O5P compound complexity?
  • What is the molecular weight of CH4?
  • Enlighten me about the vapor pressure and boiling point specific to 1-chloro-2,4-dinitrobenzene
  • Examine how the heavy atom count differs in C(CC(C(=O)O)N)CC(=O)O and C(CC(C(=O)O)NC(=O)CCC(=O)O)CN=C(N)N
  • Give me a summary of the properties of C6H14O12P2?
  • What is the covalent unit count of chemical entities belonging to aminoacridines?
  • Could you provide the number of defined atom stereocenters for chemical species categorized as trinitrotoluene?
  • Show me all identifiers of butanal
  • Can you provide information about the chemical classes attributed to InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3?
  • What are the applications of InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3?
  • What is the molecular formula of CSCC1C(C(C(O1)OP(=O)(O)O)O)O?
  • InChI of 2-amino-4-sulfanyl-butanoic acid
  • Show the IUPAC name of CH2O2

To find species based on their properties, chemical classes, uses, and identifiers

  • Find all species with boiling point above 0°C
  • Catalog compounds wherein the logS value is lower than 29
  • What are the chemical species having molecular weight around 150 g/mol?
  • Compile a roster of molecules demonstrating mono isotopic weight in the range of 120 to 130, and melting point above 310 K
  • Enumerate the molecules categorized as ketotetrose phosphate
  • Provide a roster of chemical entities employed as pH regulating agent
  • Enumerate molecules with solubility exceeding 478 g/L and falling into the aromatic amine classification
  • List the compounds displaying viscosity less than 494 g/m/s, employed as a disinfectant


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