Property estimation is the technology for calculating
molecular properties from several molecular information.
You can get the predicted property values from calculation before synthesyze
molecule and measure it's property values.This function will help you get
the property of a molecule and to find target molecules having desired properties.
The property estimation schemes are required for easy-to-use,
high speed and high quality. We selected the Neural Network technology in
order to satisfy these requirements and constructed several property estimation
schemes. A Neural Network can produce any property estimation scheme based
on the method of learnig.
We have produced high quality property estimation schemes,
such as boiling point, logP, solubility, pKa and Tg, for organic molecules
using a neural network.
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