المؤلفون: Vladimir A. Burilov, Guzaliya A. Fatikhova, Mariya N. Dokuchaeva, Ramil I. Nugmanov, Diana A. Mironova, Pavel V. Dorovatovskii, Victor N. Khrustalev, Svetlana E. Solovieva, Igor S. Antipin

المصدر: Beilstein Journal of Organic Chemistry, Vol 14, Iss 1, Pp 1980-1993 (2018)

مصطلحات موضوعية: ADP, amphiphile, ATP, calix[4]arene, CuAAC, eosin Y probe, molecular recognition, polydiacetylene, self-assembly, triazole, Science, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1860-5397

URL الوصول: https://doaj.org/article/f88ae2dbd5f143cd8845b5034bcf4763

المؤلفون: Dmitry V. Zankov (7851362), Mariia Matveieva (11473909), Aleksandra V. Nikonenko (11473912), Ramil I. Nugmanov (3334941), Igor I. Baskin (1478101), Alexandre Varnek (1425595), Pavel Polishchuk (2241499), Timur I. Madzhidov (809540)

مصطلحات موضوعية: Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, wide practical applications, putative bioactive conformation, model training could, important information contained, corresponding molecular graph, conformation ensembles using, 3d descriptors issued, implemented several multi, qsar outperforms si, qsar modeling based, 2d descriptors, spatial structures, reasonable solution, numerous cases, drug discovery, deep learning, classical single, chembl23 database

Relation: https://figshare.com/articles/journal_contribution/QSAR_Modeling_Based_on_Conformation_Ensembles_Using_a_Multi-Instance_Learning_Approach/16674145

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00692.s001

المؤلفون: Valentina A. Afonina, Daniyar A. Mazitov, Albina Nurmukhametova, Maxim D. Shevelev, Dina A. Khasanova, Ramil I. Nugmanov, Vladimir A. Burilov, Timur I. Madzhidov, Alexandre Varnek

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 1; Pages: 248

مصطلحات موضوعية: chemoinformatics, reaction informatics, ranking, artificial neural networks, QSAR, condensed graph of reaction, reaction conditions

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Informatics; https://dx.doi.org/10.3390/ijms23010248

الاتاحة: https://doi.org/10.3390/ijms23010248

المؤلفون: Assima Rakhimbekova, Timur I. Madzhidov, Ramil I. Nugmanov, Timur R. Gimadiev, Igor I. Baskin, Alexandre Varnek

المصدر: International Journal of Molecular Sciences; Volume 21; Issue 15; Pages: 5542

مصطلحات موضوعية: applicability domain, Quantitative Reaction–Property Relationship, QSAR/QSPR, chemical reactions, chemoinformatics, machine learning, reaction mining

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Informatics; https://dx.doi.org/10.3390/ijms21155542

الاتاحة: https://doi.org/10.3390/ijms21155542

المؤلفون: Valentina A. Afonina, Daniyar A. Mazitov, Albina Nurmukhametova, Maxim D. Shevelev, Dina A. Khasanova, Ramil I. Nugmanov, Vladimir A. Burilov, Timur I. Madzhidov, Alexandre Varnek

المصدر: International Journal of Molecular Sciences, Vol 23, Iss 248, p 248 (2022)
International Journal of Molecular Sciences
International Journal of Molecular Sciences; Volume 23; Issue 1; Pages: 248

مصطلحات موضوعية: chemoinformatics, reaction informatics, ranking, artificial neural networks, QSAR, condensed graph of reaction, reaction conditions, QH301-705.5, Catalysis, Article, Inorganic Chemistry, Physical and Theoretical Chemistry, Biology (General), Molecular Biology, QD1-999, Spectroscopy, Likelihood Functions, Organic Chemistry, Stereoisomerism, General Medicine, Computer Science Applications, Chemistry, Models, Chemical, Hydrogenation

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6553c9475ebe61ec377275efff8a2dc3
https://www.mdpi.com/1422-0067/23/1/248

المؤلفون: Timur I. Madzhidov, Assima Rakhimbekova, Valentina A. Afonina, Timur R. Gimadiev, Ravil N. Mukhametgaleev, Ramil I. Nugmanov, Igor I. Baskin, Alexandre Varnek

المصدر: Mendeleev Communications. 31:769-780

مصطلحات موضوعية: General Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::867ae9c83815fa18c717de2a6b84e22a
https://doi.org/10.1016/j.mencom.2021.11.003

المؤلفون: Vladimir A, Burilov, Guzaliya A, Fatikhova, Mariya N, Dokuchaeva, Ramil I, Nugmanov, Diana A, Mironova, Pavel V, Dorovatovskii, Victor N, Khrustalev, Svetlana E, Solovieva, Igor S, Antipin

المصدر: Beilstein Journal of Organic Chemistry

مصطلحات موضوعية: ADP, ATP, Chemistry, triazole, Organic Chemistry, amphiphile, molecular recognition, self-assembly, eosin Y probe, CuAAC, calix[4]arene, Full Research Paper, polydiacetylene

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::e852a70415a6849aafe69e02d4b32b53
https://pubmed.ncbi.nlm.nih.gov/30202452