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 Найдено научных статей и публикаций: 4, для научной тематики: Structure-activity relationships


Связанные научные тематики:
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1.

Water monitoring: Estimation of biological hazard of organic xenobiotics (methodological aspects) (публикация автора на scipeople)   

Barenboim G., Chiganova M., Poroikov V. - Water: Chemistry and Ecology , 2012
The problem of assessing the biological activity of organic xenobiotics using calculations like «structure – activity» is considered. This issue arises due to the fact that the number of anthropogenic and natural xenobiotics in environment...
2.

The One-Class Classification Approach to Data Description and to Models Applicability Domain (публикация автора на scipeople)     

Igor I. Baskin, Natalia Kireeva, Alexandre Varnek - Molecular Informatics , 2010
In this paper, we associate an applicability domain (AD) of QSAR/QSPR models with the area in the input (descriptor) space in which the density of training data points exceeds a certain threshold. It could be proved that the predictive performance...
3.

Computer aided predicting the biological activity spectra and experimental testing of new thiazole derivatives (публикация автора на scipeople)   

Geronikaki A., Poroikov V., Hadjipavlou-Litina D., Filimonov D., Lagunin A., Mgonzo R. - Quantitative Structure-Activity Relationships , 1999
Computer aided prediction of biological activity spectra has been carried out for 50 new thiazolyl and benzothiazolyl derivatives. Predicted activity spectra for different compounds from the set include 1±8 activities with estimated probability...
4.

Computer-aided prediction of rodent carcinogenicity by PASS and CISOC-PSCT (публикация автора на scipeople)   

Lagunin A., Filimonov D., Zakharov A., Xie W., Huang Y., Zhu F., Shen T., Yao J., Poroikov V. - QSAR and Combinatorial Science , 2009
Computer-aided prediction of rodent carcinogenicity for the external test set consisting of 293 chemicals was performed by PASS (Prediction of Activity Spectra for Substances) and by CISOC-PSCT. The set included 64 carcinogens from ISS...