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QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors
Nizami B., Tetko I., Koorbanally N., Honarparvar B.
to develop a quantitative structure-activity relationship (QSAR) for anti-HIV RT activity. The calculated
QSAR modeling and chemical space analysis of antimalarial compounds
Sidorov P., Viira B., Davioud-Charvet E., Maran U., Marcou G., Horvath D., Varnek A.
predictive models linking structure of molecules with their antimalarial activity. For this, a database
QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors
Nizami B., Tetko I., Koorbanally N., Honarparvar B.
to develop a quantitative structure-activity relationship (QSAR) for anti-HIV RT activity. The calculated
QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIP OF THE THYMIDYLATE SYNTHASE INHIBITORS OF MUS MUSCULUS IN THE SERIES OF QUINAZOLIN-4-ONE AND QUINAZOLIN-4-IMINE DERIVATIVES
KHAIRULLINA, V.R., GERCHIKOV, A.Y., MUSTAFIN, A.G., GIMADIEVA, A.R., ZARUDII, F.S.
A quantitative structureeactivity relationship analysis of the 2-methylquinazolin-4-one
QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIP OF THE THYMIDYLATE SYNTHASE INHIBITORS OF MUS MUSCULUS IN THE SERIES OF QUINAZOLIN-4-ONE AND QUINAZOLIN-4-IMINE DERIVATIVES
KHAIRULLINA, V.R., GERCHIKOV, A.Y., MUSTAFIN, A.G., GIMADIEVA, A.R., ZARUDII, F.S.
A quantitative structureeactivity relationship analysis of the 2-methylquinazolin-4-one
Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development
Tetko I., Maran U., Tropsha A.
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, WeinheimThousands of (Quantitative) Structure-Activity
Comprehensive analysis of applicability domains of QSPR models for chemical reactions
Rakhimbekova A., Madzhidov T.I., Nugmanov R.I., Gimadiev T.R., Baskin I.I., Varnek A.
definitions for the models predicting properties of molecules (Quantitative Structure-Activity
Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis
Polishchuk P., Tinkov O., Khristova T., Ognichenko L., Kosinskaya A., Varnek A., Kuz'Min V.
of quantitative structure-activity relationship (QSAR) models. This approach can efficiently be used to reveal
Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis
Polishchuk P., Tinkov O., Khristova T., Ognichenko L., Kosinskaya A., Varnek A., Kuz'Min V.
of quantitative structure-activity relationship (QSAR) models. This approach can efficiently be used to reveal
Binding constants of substituted benzoic acids with bovine serum albumin
Khaibrakhmanova D., Nikiforova A., Sedov I.
correlation with the Hammett constants of substituents. Two-and three-parameter quantitative structure–activity

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