Связанные научные тематики:
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 Найдено научных статей и публикаций: 7, для научной тематики: Computer-aided prediction

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 drug-induced changes of gene expression profiles based on st...
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 antitarget end-points, created on the basis of multilevel and...
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 REACH legislation as it supports access to experimen...
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 of known drugs interact with several or even many tar...
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 study we used computer-assisted methods for finding and ...
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 of study, only information about structural formulae...
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 set, two subsets of databases of drugs and nondrugs (a...