Estimation of n -octanol/water partition coefficients (log k ) of polychlorinated biphenyls by using quantum chemical descriptors and partial least squares

HIGHLIGHTS

• who: Chemical Descriptors et al. from the School of Environment and Energy, South China University of Technology, Guangzhou, China have published the research: Estimation of n -Octanol/Water Partition Coefficients (log K ) of Polychlorinated Biphenyls by Using Quantum Chemical Descriptors and Partial Least Squares, in the Journal: (JOURNAL) of 15/05/2013
• what: The log 𝐾OW values of 7 PCBs in the test set predicted by the model are very close to those observed indicating that this model has high fitting precision and good predictability. Taking molar weight (𝑀) and melting point (𝑇𝑚, ∘ C) as independent variables . . .
  

   

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or Email

  Password

  Remember me

  Lost your password?

  If you don't have an account, you can create one here.