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"In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests.

Alexandre VarnekDenis FourchesVitaly P. Solov'evVladimir E. BaulinAlexander N. TuranovVasili K. KarandashevDan C. FaraAlan R. Katritzky
Published in: J. Chem. Inf. Model. (2004)
Keyphrases
  • building blocks
  • design process
  • experimental design
  • user interface
  • knowledge based systems
  • virtual environment
  • computer aided
  • optimal design
  • design space