Поиск публикаций Научные конференции и семинары Новости науки Научная сеть

 Найдено научных статей и публикаций: 8, для научной тематики: Biological activity spectra


Связанные научные тематики:
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 
тег
 



1.

PASS: Prediction of Biological Activity Spectra for Substances (публикация автора на scipeople)   

Poroikov V., Filimonov D. - Predictive Toxicology , 2005
Computer program PASS (Prediction of Activity Spectra for Substances) is described. Description of chemical structures, presetation of biological activity, mathematical method, training set, validation and applications are presented.
2.

PASS: computerized prediction of biological activity spectra for chemical substances (публикация автора на scipeople)   

Filimonov D.A., Poroikov V.V. - Bioactive Compound Design: Possibilities for Industrial Use. , 1996
Computerized system PASS (Prediction of Activity Spectra for Substances) is described. PASS predcits more than 100 pharmacological effects, mechanisms of action and specific toxicities simultaneously. The average accuracy of prediction is about...
3.

PASS: prediction of activity spectra for biologically active substances (публикация автора на scipeople)   

Lagunin A., Stepanchikova A., Filimonov D., Poroikov V. - Bioinformatics , 2000
PASS INet system for prediction of biological activity spectra via Internet is described.
4.

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...
5.

Prediction of biological activity spectra for substances: Evaluation on the diverse set of drugs-like structures (публикация автора на scipeople)   

Stepanchikova A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. - Current Medicinal Chemistry , 2003
The concept of Biological Activity Spectrum served as a basis for developing PASS (Prediction of Activity Spectra for Substances) software product. PASS predicts simultaneously more than 780 pharmacological effects and biochemical mechanisms based...
6.

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....
7.

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...
8.

Identification of probable targets and mechanisms of toxicity (публикация автора на scipeople)   

Poroikov V., Filimonov D., Lagunin A., Gloriozova T., Zakharov A. - SAR & QSAR in Environmental Research , 2007
Toxicity of chemical compound is a complex phenomenon that may be caused by its interaction with different targets in the organism. Two distinct types of toxicity can be broadly pecified: the first one is caused by the strong compound’s...