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 Найдено научных статей и публикаций: 5, для научной тематики: computer prediction


Связанные научные тематики:
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1.

Prediction of the biological activity spectra of organic compounds using the PASS online web resource (публикация автора на scipeople)   

Filimonov D.A., Lagunin A.A., Gloriozova T.A., Rudik A.V., Druzhilovskii D.S., Pogodin P.V., Poroikov V.V. - Chemistry of Heterocyclic Compounds , 2014
The freely accessible web resource PASS Online is presented. This resource is designed for the prediction of the biological activity spectra of organic compounds based on their structural formulas for more than 4000 types of biological activity...
2.

Computer-aided prediction of potential antineoplastic agents. (публикация автора на scipeople)   

Zakharov A., Lagunin A., Filimonov D., Poroikov V. - Chemistry Central Journal , 2008
Rational selection of potential antineoplastic agents with multitargeted action is considered on the basis of computer prediction of biological activity spectra using PASS program.
3.

How to acquire new biological activities in old compounds by computer prediction (публикация автора на scipeople)   

Poroikov V.V., Filimonov D.A. - Journal of Computer-Aided Molecular Design , 2002
Due to the directed way of testing chemical compounds’ in drug research and development many projects fail because serious adverse effects and toxicity are discovered too late, and many existing prospective activities remain unstudied....
4.

Computer-aided selection of potential antihypertensive compounds with dual mechanisms of action (публикация автора на scipeople)   

Lagunin A.A., Gomazkov O.A., Filimonov D.A., Gureeva T.A., Dilakyan E.A., Kugaevskaya E.V., Elisseeva Yu.E., Solovyeva N.I., Poroikov V.V. - Journal of Medicinal Chemistry , 2003
The prediction of biological activity spectra for substances as an approach for searching compounds with complex mechanisms of action was studied. New compounds with dual mechanisms of antihypertensive action were found by this approach....
5.

Why relevant chemical information cannot be exchanged without disclosing structures (публикация автора на scipeople)   

Filimonov D.A., Poroikov V.V. - Journal of Computer-Aided Molecular Design , 2005
Both society and industry are interested in increasing the safety of pharmaceuticals. Potentially dangerous compounds could be filtered out at early stages of R&D by computer prediction of biological activity and ADMET characteristics. Accuracy of...