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Abstract:
With
the development of agricultural and chemical research,
it has been found that some of derivatives are usually
with higher plant growth inhibition than those natural.
The purpose of our research is to acquire relatively
effective structural determinants to predict the
inhibition of the new aromatic ring bearing many
different kinds of substituents by establishing
Quantitative structure activity relationship (QSAR). In
this work, we used CODESSA software to calculate the
molecular descriptors to build mathematical relationship
between physicochemical properties and standardize
experimental data. We accessed the gene expression
programming by APS software to predict the inhibition of
the derivatives. As a result, the accuracy of gene
expression programming in training and test sets are
respectively 97.778% and 86.667%. Thus, the exactitude
manifest the QSAR we obtained is a effective model. |
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