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Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery.

Tobias FinkJean-Louis Reymond
Published in: J. Chem. Inf. Model. (2007)
Keyphrases
  • drug discovery
  • chemical compounds
  • machine learning
  • data sets
  • data integration
  • complex systems
  • computational methods
  • biological systems
  • sequence data