Prediction of "structure-property" dependence of new organic compounds on the basis of artificial immune systems
Artykuł w czasopiśmie
| Status: | |
| Autorzy: | Samigulina Galina A., Samigulina Zarina I., Wójcik Waldemar, Krak Iurii V. |
| Rok wydania: | 2015 |
| Wersja dokumentu: | Drukowana | Elektroniczna |
| Język: | angielski |
| Numer czasopisma: | 1 |
| Wolumen/Tom: | 47 |
| Strony: | 28 - 35 |
| Scopus® Cytowania: | 1 |
| Bazy: | Scopus |
| Efekt badań statutowych | NIE |
| Materiał konferencyjny: | NIE |
| Publikacja OA: | NIE |
| Abstrakty: | angielski |
| Technology of prediction of organic compounds properties on the basis of artificial immune systems for determination of new candidate substances for drug is proposed. Detection of informative descriptors and pattern recognition is done by means of the principal component method and singular decomposition of matrixes. The suggested technology makes it possible to improve efficiency of modeling, reduce errors of energy estimates and enhance validity of prediction on designing new drugs of sedative action (barbiturates). |
