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Assessing Alkene Reactivity toward Cytochrome P450-Mediated Epoxidation through Localized Descriptors and Regression Modeling.

Phillip W. GingrichJustin B. SiegelDean J. Tantillo
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • multi variate
  • regression model
  • modeling framework
  • polynomial regression
  • real time
  • petri net
  • support vector regression
  • gaussian processes
  • regression analysis
  • modeling language