| 摘要 |
<p>PROBLEM TO BE SOLVED: To provide a chemical toxicity evaluating method and a chemical toxicity evaluating device capable of evaluation of toxicity of a chemical substance with an easy method and with high accuracy, and a database device 11. SOLUTION: This chemical toxicity evaluating device is provided with an electronic structure analyzing part 1 for finding an electronic state of atom constituting a chemical substance, a data inputting part 2 for inputting physicochemical data of the chemical substance and experimental data of a toxic value, a chemometric analyzing part 3 for setting the weight coefficient of each neuron of a neural net with an electric charge distribution of a chemical substance whose toxic value is known as an input parameter and with the experimental data of the toxic value as a teacher signal, and a venenosity evaluating part 4 for utilizing the neural net to evaluate toxicity of a chemical substance whose toxic value is unknown. It is possible to easily and accurately evaluate toxic values of various chemical substances because toxic values of other chemical substances are evaluated on the basis of toxic values obtained with experiment of some chemical substances an intramolecular electric charge distribution.</p> |
