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 Найдено научных статей и публикаций: 7, для научной тематики: computer-aided prediction


Связанные научные тематики:
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1.

DIGEP-Pred: web-service for in-silico prediction of drug-induced expression profiles based on structural formula (публикация автора на scipeople)   

Lagunin A., Ivanov S., Rudik A., Filimonov D., Poroikov V. - Bioinformatics , 2013
Experimentally found gene expression profiles are used to solve different problems in зharmaceutical studies, such as drug repositioning, resistance, toxicity and drug–drug interactions. A special web service, DIGEP-Pred, for prediction of...
2.

Quantitative prediction of antitarget interaction profiles for chemical compounds (публикация автора на scipeople)   

Zakharov A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. - Chemical Research in Toxicology , 2012
The evaluation of possible interactions between chemical compounds and antitarget proteins is an important task of the research and development process. Here, we describe the development and validation of QSAR models for the prediction of...
3.

Collaborative development of predictive toxicology applications (публикация автора на scipeople)     

Hardy B., Douglas N., Helma C., Rautenberg M., Jeliazkova N., Jeliazkov V., Nikolova I., Benigni R., Tcheremenskaia O., Kramer S., Girschick T., Buchwald F., Wicker J., Karwath A., Gutlein M., Maunz A., Sarimveis H., Melagraki G., Afantitis A., Sopasakis P., Gallagher D., Poroikov V., Filimonov D., Zakharov A., Lagunin A., Gloriozova T., Novikov S., Skvortsova N., Druzhilovsky D., Chawla S., Ghosh I., Ray S., Patel H., Escher S. - Journal of Cheminformatics , 2010
OpenTox provides an interoperable, standards-based Framework for the support of predictive toxicology data management, algorithms, modelling, validation and reporting. It is relevant to satisfying the chemical safety assessment requirements of the...
4.

Computer-assisted prediction and design of multitargeted drugs (публикация автора на scipeople)   

Poroikov V.V. - Med. Chem. Res. , 2010
During the XX century the dominant paradigm in creation of new drugs was based on suggestion about selectivity of action on a certain molecular target, which should lead to the normalization of pathological process. At the same time, the majority...
5.

Computer-assisted search and optimization of new human immunodeficiency virus integrase inhibitors (публикация автора на scipeople)   

Druzhilovsky D.S., Filimonov D.A., Liao C., Peach M., Nicklaus M., Poroikov V.V. - Biochemistry (Moscow) Supplemental Series B. Biomedical Chemistry , 2010
Finding and optimization of new HIV-1 integrase inhibitors is an important task due to the drawbacks of the existing antiretroviral therapy caused by the significant adverse effects, high cost of the treatment, and emerging resistance. In this...
6.

Prediction of biological activity spectra via Internet (публикация автора на scipeople)   

Sadym A., Lagunin A., Filimonov D., Poroikov V. - SAR and QSAR in Environmental Research , 2003
The majority of biologically active compounds have both pharmacotherapeutic and side/toxic actions. To estimate general efficacy and safety of the molecules under study, their biological potential should be thoroughly evaluated. In an early stage...
7.

Discriminating between drugs and nondrugs by Prediction of Activity Spectra for Substances (PASS) (публикация автора на scipeople)   

Anzali S., Barnickel G., Cezanne B., Krug M., Filimonov D., Poroikov V. - Journal of Medicinal Chemistry , 2001
Using the computer system PASS (prediction of activity spectra for substances), which predicts simultaneously several hundreds of biological activities, a training set for discriminating between drugs and nondrugs is created. For the training...