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CLASS 9 EUROINVENT 2010 CLASA 9
9.7.
Title EN
Titlu RO
Authors
Institution
Patent no.
Description
EN
Descriere
RO
acest nou concept încercă să reunească principii tehnologice noi
care să conducă la armonizarea criteriilor de performanţă
economică a organizaţiilor productive cu criteriile de protecţie a
mediului şi a omului;
- noile procedee şi produse să nu depăşească restricţiile ecologice
existente, să nu modifice esenţial tehnologiile industriale de
prelucrare a pieilor naturale
- să conducă la eficientizări de natură economica.
New applications of artificial intelligence tools in molecular design
Noi aplicatii ale instrumentelor inteligentei artificiale in proiectarea
moleculară
Gabriela LISA, Daniela APREUTESEI,
Catalin LISA, Silvia CURTEANU
Gheorghe Asachi Tehnical University, Iaşi
Faculty of Chemical Engineering and Environmental Protection
Pending
Neural networks are used for the modeling of the non-linear
structure-properties correlations (direct problem), while the
opposite problem regarding molecular design is solved using the
same optimized neural networks based on genetic algorithms;
considering the goal of obtaining specific properties, such as
good thermal stability, we created molecular structures that
could have such properties. The problems arising from and
related to molecular design are difficult and complex, and
therefore they need combining various types of artificial
intelligence techniques. When discovering new properties, the
thermal stability of synthesized materials is one of the most
important requirements, and the main purpose of this innovative
study is therefore molecular design using different artificial
intelligence tools, such as specific materials having liquid
crystal properties and good thermal stability. Since
thermotropic liquid crystals are materials in which the
sequencing property in liquid crystal structures occurs within a
specific temperature range and it involves system temperature
increase, it is easy to understand the vital role played by thermal
stability in these compounds. Molecular design contributes to
the creation and development of new materials, with liquid
crystal properties and considerably lowers time consumption,
which means important money savings, since the syntheses may
be conducted so as to achieve the desired properties.
Reţelele neuronale sunt utilizate pentru modelarea corelatiilor
neliniare structura-proprietati (problema directă) in timp ce
problema inversa privind proiectarea moleculara se rezolva tot
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