المؤلفون: Inna Khristenko, Volodymyr Ivanov

المصدر: Вісник Харківського національного університету: Серія xімія, Iss 40, Pp 12-21 (2023)

مصطلحات موضوعية: quantitative structure-activity relationships (qsar), regression models, internal validation, topological descriptors, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://periodicals.karazin.ua/chemistry/article/view/23245; https://doaj.org/toc/2220-637X; https://doaj.org/toc/2220-6396

URL الوصول: https://doaj.org/article/559796a2220a4aff850597c0e9845505

المؤلفون: Abraham, Michael H, Gola, Joelle M.R., Cometto-Muniz, J. Enrique

المصدر: Environment International. 86

مصطلحات موضوعية: Air quality index, chemosensory irritation, volatile organic compounds (VOCs), VOC mixtures, quantitative structure-activity relationships (QSAR), VOCs response addition, VOCs dose addition

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/92g5z82g

المؤلفون: Cometto-Muniz, J. Enrique, Abraham, Michael H

المصدر: Chemical Senses. 41(1)

مصطلحات موضوعية: Odor detectability functions, Chemesthetic detectability functions, Odor thresholds, Nasal and ocular irritation thresholds, Quantitative structure-activity relationships (QSAR), Chemosensory detection, Volatile organic compounds

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/4vp1b4sz

المؤلفون: Alessandra Biancolillo, Luca Mennitti, Martina Foschi, Federico Marini

المساهمون: Biancolillo, Alessandra, Mennitti, Luca, Foschi, Martina, Marini, Federico

مصطلحات موضوعية: quantitative structure–activity relationships (QSAR), parallel artificial membrane permeability assay (PAMPA), partial least squares discriminant analysis (PLS-DA), molecular descriptor, drug, drug permeability, gastrointestinal adsorption

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000759447300001; volume:12; issue:3; firstpage:1; lastpage:15; numberofpages:15; journal:APPLIED SCIENCES; https://hdl.handle.net/11573/1624874; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85123408323

الاتاحة: https://hdl.handle.net/11573/1624874
https://doi.org/10.3390/app12031326

المؤلفون: Meng Ji, Lihong Zhang, Xuming Zhuang, Chunyuan Tian, Feng Luan, Maria Natália D. S. Cordeiro

المصدر: Molecules; Volume 27; Issue 19; Pages: 6389

مصطلحات موضوعية: toxicity assessment, mixture, quantitative structure-activity relationships (QSAR), forward stepwise multiple linear regression (MLR), radial basis function neural networks (RBFNN)

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Computational and Theoretical Chemistry; https://dx.doi.org/10.3390/molecules27196389

الاتاحة: https://doi.org/10.3390/molecules27196389

المؤلفون: Marcin Gackowski, Karolina Szewczyk-Golec, Katarzyna Mądra-Gackowska, Robert Pluskota, Marcin Koba

المصدر: Nutrients; Volume 14; Issue 17; Pages: 3521

مصطلحات موضوعية: isosteviol derivatives, diabetes, FXa inhibitors, multivariate adaptive regressions splines, obesity, quantitative structure–activity relationships (QSAR)

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Nutrition and Metabolism; https://dx.doi.org/10.3390/nu14173521

الاتاحة: https://doi.org/10.3390/nu14173521

المؤلفون: Marcin Gackowski, Karolina Szewczyk-Golec, Robert Pluskota, Marcin Koba, Katarzyna Mądra-Gackowska, Alina Woźniak

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 9; Pages: 5132

مصطلحات موضوعية: anthrapyrazoles, antitumor activity, multivariate adaptive regressions splines, quantitative structure-activity relationships (QSAR)

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Pharmacology; https://dx.doi.org/10.3390/ijms23095132

الاتاحة: https://doi.org/10.3390/ijms23095132

المؤلفون: David Winkler

مصطلحات موضوعية: Uncategorized, machine learning, biomaterials, nanomaterials, porous materials, 2D materials, artificial intelligence, batteries, Bayesian methods, catalysts, complex systems, computational molecular design, drug design, organic photovoltaic (OPV) devices, quantitative structure-activity relationships (QSAR), regenerative medicine, science

Relation: https://figshare.com/articles/journal_contribution/Probing_the_properties_of_molecules_and_complex_materials_using_machine_learning/21100588

الاتاحة: https://doi.org/10.26181/21100588.v1
https://figshare.com/articles/journal_contribution/Probing_the_properties_of_molecules_and_complex_materials_using_machine_learning/21100588

المؤلفون: Shrooq Alsenan, Isra Al-Turaiki, Alaaeldin Hafez

المصدر: PeerJ Computer Science, Vol 7, p e515 (2021)

مصطلحات موضوعية: Chemoinformatics, Convolutional Neural Network (CNN), Blood Brain Barrier (BBB) permeability, Quantitative Structure-Activity Relationships (QSAR), Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: https://peerj.com/articles/cs-515.pdf; https://peerj.com/articles/cs-515/; https://doaj.org/toc/2376-5992

URL الوصول: https://doaj.org/article/004a8a11a6544ef5b7d144508e861691

المؤلفون: Praveen K. Roayapalley, Hiroshi Sakagami, Keitaro Satoh, Shigeru Amano, Kenjiro Bandow, Renato J. Aguilera, Karla G. Cano Hernandez, Austre Y. Schiaffino Bustamante, Stephen G. Dimmock, Rajendra K. Sharma, Umashankar Das, Jonathan R. Dimmock

المصدر: Medicines; Volume 8; Issue 12; Pages: 78

مصطلحات موضوعية: 4-piperidones, unsaturated ketones, cytotoxicity, quantitative structure-activity relationships (QSAR), Western blot, cell cycle inhibition

وصف الملف: application/pdf

Relation: Cancer Biology and Anticancer Therapeutics; https://dx.doi.org/10.3390/medicines8120078

الاتاحة: https://doi.org/10.3390/medicines8120078

المؤلفون: K, Gupta

المصدر: Medicinal Chemistry, 10(6), 5, (2020-05-16)

مصطلحات موضوعية: Quantitative Structure-Activity Relationships (QSAR) • α-Glucosidase inhibitors • 3-arylcoumarin • Molecular docking • Drug design

Relation: https://doi.org/10.5281/zenodo.10669458; https://doi.org/10.5281/zenodo.10669459; oai:zenodo.org:10669459

الاتاحة: https://doi.org/10.5281/zenodo.10669459

المؤلفون: Lynda Bouarab-Chibane, Valérian Forquet, Pierre Lantéri, Yohann Clément, Lucie Léonard-Akkari, Nadia Oulahal, Pascal Degraeve, Claire Bordes

المصدر: Frontiers in Microbiology, Vol 10 (2019)

مصطلحات موضوعية: polyphenols, antibacterial activity, quantitative structure activity relationships (QSAR), foodborne pathogenic bacteria, food-spoiling bacteria, surface properties of bacteria, Microbiology, QR1-502

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/article/10.3389/fmicb.2019.00829/full; https://doaj.org/toc/1664-302X

URL الوصول: https://doaj.org/article/ceb9a76aa81e4dbf9661f695125c95c0

المؤلفون: Florbela Pereira, Diogo A. R. S. Latino, Susana P. Gaudêncio

المصدر: Molecules, Vol 20, Iss 3, Pp 4848-4873 (2015)

مصطلحات موضوعية: quantitative structure-activity relationships (QSAR), semi-empirical quantum-chemical descriptors, marine natural products, microbial natural products, antibiotic, antitumor, drug discovery, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: http://www.mdpi.com/1420-3049/20/3/4848; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/28a1a2b207fe48529278115a27cd646b

المؤلفون: Eriksson, Lennart, Johansson, Erik, Trygg, Johan

المصدر: Chemometrics and Cheminformatics in Aquatic Toxicology. :71-88

مصطلحات موضوعية: chemometrics, cross-validation, data analytics, design of experiments (DOE), multivariate data analysis (MVDA), orthogonal partial least squares (OPLS), partial least squares (PLS), principal components analysis (PCA), quantitative structure-activity relationships (QSAR)

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-199106

المؤلفون: Khadijat Oladayo Ganiyu, Nurudeen A. Adegoke, Saddam Akber Abbasi

المصدر: Quality and Reliability Engineering International. 37:3465-3492

مصطلحات موضوعية: Average run length, Computer science, Moving average, one-sided control charts, Statistics, average run length, k-nearest neighbors (KNN) regression, Control chart, quantitative structure-activity relationships (QSAR), Management Science and Operations Research, Safety, Risk, Reliability and Quality, homogeneously weighted moving average

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb7db25920527ca1630c8d793a1b6068
https://doi.org/10.1002/qre.2928

المؤلفون: Florbela Pereira, Diogo A. R. S. Latino, Susana P. Gaudêncio

المصدر: Marine Drugs, Vol 12, Iss 2, Pp 757-778 (2014)

مصطلحات موضوعية: quantitative structure–activity relationships (QSAR), marine natural products, microbial natural products, antibiotic, antitumor, drug discovery, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: http://www.mdpi.com/1660-3397/12/2/757; https://doaj.org/toc/1660-3397

URL الوصول: https://doaj.org/article/3043bc87fd794d5b89571c3b912fc239

المؤلفون: Xiaohui Fan, Li Xing, Wei Liu, Leihong Wu, Qian Chen

المصدر: Molecules, Vol 18, Iss 9, Pp 10789-10801 (2013)

مصطلحات موضوعية: quantitative structure-activity relationships (QSAR), SAR paradox, molecular modeling, gene expression, integrative analysis, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: http://www.mdpi.com/1420-3049/18/9/10789; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/699c32dccc704e50a0945ada5809c4bc

المؤلفون: Rodrigues, Natânia E., Faria, Adriana C. de, Pereira, Ingrid V., Cunha, Elaine F. F. da, Freitas, Matheus P.

المصدر: Bulletin of Environmental Contamination and Toxicology

مصطلحات موضوعية: Quantitative structure–activity relationships (QSAR), Docking, Thioureas, Herbicide, Environment, Relações estrutura-atividade quantitativas, Análise multivariada de imagens, Tiouréias, Herbicida, Meio ambiente

Relation: RODRIGUES, N. E. et al. QSAR-Guided Proposition of N-(4-methanesulfonyl)Benzoyl-N’-(Pyrimidin-2-yl)Thioureas as Effective and Safer Herbicides. Bulletin of Environmental Contamination and Toxicology, [S.I.], v. 108, p. 1019-1025, June 2022. DOI: https://doi.org/10.1007/s00128-022-03467-w.; https://doi.org/10.1007/s00128-022-03467-w; http://repositorio.ufla.br/jspui/handle/1/50751

الاتاحة: http://repositorio.ufla.br/jspui/handle/1/50751
https://doi.org/10.1007/s00128-022-03467-w

المؤلفون: Daré, Joyce Karoline, Freitas, Matheus Puggina de

المصدر: Journal of Computational Chemistry

مصطلحات موضوعية: Conformational information, Quantitative structure–activity relationships (QSAR), Two-dimension representation, Optimized structures, Informações conformacionais, Relação quantitativa estrutura/atividade, Representações bidimensionais, Estruturas otimizadas

Relation: DARÉ, J. K.; FREITAS, M. P. Is conformation relevant for QSAR purposes? 2D Chemical representation in a 3D-QSAR perspective. Journal of Computational Chemistry, [S.I.], v. 43, n. 13, p. 917-922, May 2022. DOI: https://doi.org/10.1002/jcc.26848.; https://doi.org/10.1002/jcc.26848; http://repositorio.ufla.br/jspui/handle/1/54453

الاتاحة: http://repositorio.ufla.br/jspui/handle/1/54453
https://doi.org/10.1002/jcc.26848

المؤلفون: Viira, Birgit, Gendron, Thibault, Lanfranchi, Don Antoine, Cojean, Sandrine, Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre, Maes, Louis, Maran, Uko, Loiseau, Philippe M, Davioud-Charvet, Elisabeth

المصدر: Molecules, 21 (7), 853 (2016-06-29)

مصطلحات موضوعية: Plasmodium falciparum, antimalarial, quantitative structure-activity relationships (QSAR), Antimalarials/chemistry, Antimalarials/pharmacology, Curcuma/chemistry, Plasmodium falciparum/drug effects, Computer Simulation, Data Mining, Drug Design, Quantitative Structure-Activity Relationship, Molecular Medicine, Pharmaceutical Science, Drug Discovery, Organic Chemistry, Physical, chemical, mathematical & earth Sciences, Chemistry, Human health sciences, Immunology & infectious disease, Physique, chimie, mathématiques & sciences de la terre, Chimie, Sciences de la santé humaine, Immunologie & maladie infectieuse

Relation: http://www.mdpi.com/1420-3049/21/7/853/pdf; urn:issn:1420-3049

URL الوصول: https://orbi.uliege.be/handle/2268/296927