Výsledky vyhledávání - "L. I. Gabrielyan"

Features of the principal component analysis for the classification of biologically active compounds in terms of molecular descriptors

Autor: L. I. Gabrielyan, A. S. Kabankin

Publikováno v: Pharmaceutical Chemistry Journal. 40:307-311

Features of the principal component analysis, which can be used to decrease the dimension of the space of initial molecular descriptors in the search for classification rules predicting the activity of new compounds, are considered in application to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::631af9fe5c52eea63bcf9ad9d01edc73
https://doi.org/10.1007/s11094-006-0116-5

Zobrazit plný text záznamu

Relationship Between Structure and Hepatoprotector Activity of Indole Derivatives

Autor: N. V. Ostapchuk, A. S. Kabankin, V. P. Zhestkov, N. E. Pyn'ko, L. A. Radkevich, L. I. Gabrielyan

Publikováno v: Pharmaceutical Chemistry Journal. 39:191-196

The characteristics of the hepatoprotective activity of some indole derivatives have been determined. The best combinations of substructural molecular descriptors are established, which allows the hepatoprotective activity in the given chemical serie

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aa52d256f589196d46d86bf6b78d5592
https://doi.org/10.1007/s11094-005-0115-y

Zobrazit plný text záznamu

Relationship Between Structure and Hepatoprotector Activity of Adamantane Derivatives. Part 2. Application of Autocorrelative, Substructural, and 3D Molecular Descriptors

Autor: A. S. Kabankin, L. I. Gabrielyan

Publikováno v: Pharmaceutical Chemistry Journal. 39:135-139

The relationships between structure and hepatoprotector activity in the class of adamantane derivatives were studied by means of linear discriminant analysis with the use of various 2D and 3D descriptors. From the standpoint of predictions based on t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::72e51de73165e16bb6f3582a89120606
https://doi.org/10.1007/s11094-005-0102-3

Zobrazit plný text záznamu

Hepatoprotector Effect and Relationship Between Structure and Detoxicating Activity of Adamantane Derivatives

Autor: A. S. Kabankin, L. A. Piruzyan, N. V. Ostapchuk, N. E. Pyn'ko, L. A. Radkevich, L. I. Gabrielyan

Publikováno v: Pharmaceutical Chemistry Journal. 38:136-142

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b67105193fabeec319e590aeacbd0bb4
https://doi.org/10.1023/b:phac.0000034302.19705.94

Zobrazit plný text záznamu

Studies of the interaction between the hepatoprotective detoxifying activity of chemical compounds and their molecular structure using quantum chemical descriptors

Autor: L. I. Gabrielyan, A. S. Kabankin

Publikováno v: Pharmaceutical Chemistry Journal. 42:262-264

The AM1 valent approximation version of the self-consistent field (SCF) MO LCAO method was used to calculate the electronic structures of 30 adamantane derivatives and 30 indole derivatives with full optimization of molecular geometry. Linear discrim

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fc6733182c4232b50d952bc76eaea731
https://doi.org/10.1007/s11094-008-0107-9

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání