Selecting the right compounds for screening: use of surface-area parameters.

@article{Tice2002SelectingTR,
  title={Selecting the right compounds for screening: use of surface-area parameters.},
  author={Colin M. Tice},
  journal={Pest management science},
  year={2002},
  volume={58 3},
  pages={
          219-33
        }
}
Polar surface area, total surface area and percentage surface area have been calculated from three-dimensional structures of 88 post-emergence herbicides, 93 pre-emergence herbicides and 237 insecticides. Preferred ranges of values of these parameters were identified. Since the compounds in the training sets are used on a wide variety of species and target sites with various application modes, the parameter ranges are necessarily broad. The utility of the surface-area parameter ranges in… CONTINUE READING
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