engleski

Minisymposium QSAR and QSPR modeling: introductory remarks

There is still not available a foolproof methodology to design new materials and drugs. In this kind of research if we are going to achive any degree of success, Paul Ehrlich's dictum of four G's is still valid, that is, it requires for successfull drug research good luck (Glück), patience (Geduld), skill (Gerschick) and money (Geld). We should like to add the fifth necessary, but not sufficient condition, that is, hard-work (Fleiss). All these can be augmented by modeling via computer science and mathematical chemistry. One of methods that unites the developments of computer sciecne and mathematical chemistry is usually abbreviated by QSAR in drug research and by QSPR in the new materials research, meaning, respectively, the quantitative structure-activity relationships and the quantitative structure-property relationships. However, there are other very useful computational approaches such as the neural network modeling.

QSAR and QSPR modeling, computer sciecne, mathematical chemistry

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