Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Mariia Matveieva"'
Autor:
Mariia Matveieva, Pavel Polishchuk
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-20 (2021)
Abstract Interpretation of QSAR models is useful to understand the complex nature of biological or physicochemical processes, guide structural optimization or perform knowledge-based validation of QSAR models. Highly predictive models are usually com
Externí odkaz:
https://doaj.org/article/571d850847904f138e814a46faeb32fa
Autor:
Aleksandra Nikonenko, Dmitry V. Zankov, R. I. Nugmanov, Alexandre Varnek, Pavel G. Polishchuk, Igor I. Baskin, Mariia Matveieva, Timur I. Madzhidov
Publikováno v:
Journal of chemical information and modeling. 61(10)
Modern QSAR approaches have wide practical applications in drug discovery for designing potentially bioactive molecules. If such models are based on the use of 2D descriptors, important information contained in the spatial structures of molecules is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c7684132a20a20ba67b7e0de5541dffc
https://pubmed.ncbi.nlm.nih.gov/34554736
https://pubmed.ncbi.nlm.nih.gov/34554736
Autor:
Jiri Rehulka, Ivanna Subtelna, Anna Kryshchyshyn‐Dylevych, Alina Cherniienko, Aleksandra Ivanova, Mariia Matveieva, Pavel Polishchuk, Sona Gurska, Marian Hajduch, Oleh Zagrijtschuk, Petr Dzubak, Roman Lesyk
Publikováno v:
Archiv der Pharmazie. 355:2200419
Studying the anticancer activity of 5-arylidene-2-(4-hydroxyphenyl)aminothiazol-4(5H)-ones towards cell lines of different cancer types allowed the identification of hit-compounds inhibiting the growth of daunorubicin- (CEM-DNR, IC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5bf043d1ace144d8c79cb4830f26e9ff
https://doi.org/10.1002/ardp.202200419
https://doi.org/10.1002/ardp.202200419
Autor:
Timur Madzhidov, Pavel Polishchuk, Alexandre Varnek, Ramil Nugmanov, Aleksandra Nikonenko, Mariia Matveieva, Dmitry V. Zankov
Modern QSAR approaches have wide practical applications in drug discovery for screening potentially bioactive molecules before their experimental testing. Most models predicting the bioactivity of compounds are based on molecular descriptors derived
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf1acd8eebb4356f1a3a210cbcf5c5ff
https://doi.org/10.26434/chemrxiv.13456277
https://doi.org/10.26434/chemrxiv.13456277
Autor:
Aleksandra Nikonenko, Alexandre Varnek, Timur I. Madzhidov, Pavel G. Polishchuk, DmitryV. Zankov, Mariia Matveieva, R. I. Nugmanov
Modern QSAR approaches have wide practical applications in drug discovery for screening potentially bioactive molecules before their experimental testing. Most models predicting the bioactivity of compounds are based on molecular descriptors derived
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ea8b4bfa78e6c0a79a9c398b54dce30
https://doi.org/10.26434/chemrxiv.13456277.v1
https://doi.org/10.26434/chemrxiv.13456277.v1
Autor:
Mariia Matveieva, V. Y. Grigorev, O. V. Tinkov, Pavel G. Polishchuk, Yuri B. Porozov, L. D. Grigoreva
Publikováno v:
Molecular informaticsReferences. 40(9)
Investigation of the influence of molecular structure of different organic compounds on acute toxicity towards Fathead minnow, Daphnia magna, and Tetrahymena pyriformis has been carried out using 2D simplex representation of molecular structure and t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc12a4ab575c6404bf978b7fbb329b03
https://pubmed.ncbi.nlm.nih.gov/33029954
https://pubmed.ncbi.nlm.nih.gov/33029954
Autor:
Mariia Matveieva
Publikováno v:
Mohyla Mathematical Journal. 1:25-29
Вершина w простого зв’язного графа G сильно роздiляє двi вершини u i v цього графа, якщо виконується одна з двох рiвностей: dG(w, u) = dG(w, v) + dG(v, u)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5df30a58c68aeeb991531989f6786fdc
https://doi.org/10.18523/2617-7080i2018p25-29
https://doi.org/10.18523/2617-7080i2018p25-29
Publikováno v:
E3S Web of Conferences, Vol 274, p 01005 (2021)
In the conditions of the modern world, there is an increasing socio-cultural gap between generations. To create sustainable development and functioning of society, to maintain its stability in the present and future, it is necessary to create conditi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db6e75df92f3e8abc4330377d4fb69a9
https://doi.org/10.1051/e3sconf/202127401005
https://doi.org/10.1051/e3sconf/202127401005
Publikováno v:
Molecular informatics. 38(3)
The study focused on QSAR model interpretation. The goal was to develop a workflow for the identification of molecular fragments in different contexts important for the property modelled. Using a previously established approach - Structural and physi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8266a62c45722f2bea58b7d0e6ec0a6
https://pubmed.ncbi.nlm.nih.gov/30346106
https://pubmed.ncbi.nlm.nih.gov/30346106