نتائج البحث - "activity-relationship models"

المساهمون: Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Analytical Chemistry and Pharmaceutical Technology, Pharmaceutical and Pharmacological Sciences

المصدر: Journal of Chromatography A. 1692:463855

مصطلحات موضوعية: Quantitative retention-activity relationship models, Organic Chemistry, Skin permeability, Supercritical Fluid Chromatography, General Medicine, Quantitative structure-activity relationship models, Biochemistry, Analytical Chemistry

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::704575302e31067ce94eb8f812d2c396Test
https://doi.org/10.1016/j.chroma.2023.463855Test

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دورية أكاديمية

Prediction of selective estrogen receptor beta agonist using open data and machine learning approach

المؤلفون: Niu AQ, Xie LJ, Wang H, Zhu B, Wang SQ

المصدر: Drug Design, Development and Therapy, Vol 2016, Iss Issue 1, Pp 2323-2331 (2016)

مصطلحات موضوعية: Estrogen receptor subtype β, Selective estrogen receptor modulators, Agonist, Quantitative structure-activity relationship models, Machine Learning Approach, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

العلاقة: https://www.dovepress.com/prediction-of-selective-estrogen-receptor-beta-agonist-using-open-data-peer-reviewed-article-DDDTTest; https://doaj.org/toc/1177-8881Test

الوصول الحر: https://doaj.org/article/0d4226b7747c4a8ea9738925243f16d6Test

View record in DOAJ

النص الكامل

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Predicting skin permeability of pharmaceutical and cosmetic compounds using retention on octadecyl, cholesterol-bonded and immobilized artificial membrane columns

المؤلفون: Yvan Vander Heyden, Yasmine Grooten, Debby Mangelings

المساهمون: Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Analytical Chemistry and Pharmaceutical Technology, Faculty of Medicine and Pharmacy, Pharmaceutical and Pharmacological Sciences

مصطلحات موضوعية: ultra-high pressure liquid chromatography, Organic Chemistry, Membranes, Artificial, General Medicine, Quantitative structure-activity relationship models, Biochemistry, Permeability, immobilized artificial membrane chromatography, Analytical Chemistry, cholesterol-bonded column, Cholesterol, Pharmaceutical Preparations, Skin permeability, Chromatography, High Pressure Liquid

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::574047f45a64b74e52f42aa8d6fce80bTest
https://hdl.handle.net/20.500.14017/fc71088b-4011-46ea-87c3-bfa446196fa7Test

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QSAR without borders

المؤلفون: Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, Tudor I, Baskin, II, Varnek, A., Roitberg, A., Isayev, O., Curtalolo, S., Fourches, D., Cohen, Y., Aspuru-Guzik, A., Winkler, D. A., Agrafiotis, D., Cherkasov, A., Tropsha, A.

المصدر: Chemical Society Reviews. 49(11):3525-3564

مصطلحات موضوعية: Chemical Sciences, Kemi, quantitative structure-activity, adverse outcome pathways, activity-relationship models, matched molecular pairs, data mining, techniques, deep neural-networks, biological-activity, industrial-chemicals, activity prediction, organic-reactions, Chemistry

الوصول الحر: https://gup.ub.gu.se/publication/294617Test

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Evaluating micellar liquid chromatographic methods on octadecyl particle-based and monolithic columns to predict the skin permeation of drug and cosmetic molecules

المؤلفون: Yvan Vander Heyden, Quinten Marcelis, Yasmine Grooten, Debby Mangelings

المساهمون: Analytical Chemistry and Pharmaceutical Technology, Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Faculty of Medicine and Pharmacy, Pharmaceutical and Pharmacological Sciences, Experimental in vitro toxicology and dermato-cosmetology

المصدر: Journal of chromatography. A. 1663

مصطلحات موضوعية: Quantitative retention-activity relationship models, monolithic column, Organic Chemistry, General Medicine, Cosmetics, Quantitative structure-activity relationship models, Biochemistry, Permeability, Analytical Chemistry, Pharmacology, Toxicology and Pharmaceutics(all), Skin permeability, Micellar liquid chromatography, Chromatography, High Pressure Liquid, Micelles, Chromatography, Liquid, Skin

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1c80b93bc43a55dabc7752e069cf0e1Test
https://pubmed.ncbi.nlm.nih.gov/34954537Test

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Molecular interaction of the antiviral compound CW‑33 and its analogues with the NS2B‑NS3 protease of the Japanese encephalitis virus

المؤلفون: Kuan-Chung, Chen, Yu-Fong, Lin, An-Cheng, Huang, Jing-Yang, Gao, Cheng-Wen, Lin, Jin-Cherng, Lien

المصدر: International Journal of Molecular Medicine

مصطلحات موضوعية: Encephalitis Virus, Japanese, quantitative structure-activity relationship models, Aniline Compounds, Binding Sites, Support Vector Machine, viruses, Quantitative Structure-Activity Relationship, Articles, Viral Nonstructural Proteins, Antiviral Agents, pharmacophore features, Molecular Docking Simulation, Inhibitory Concentration 50, Japanese encephalitis virus, Linear Models, Furans

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::692f7006b215857744269021c3b16307Test
https://pubmed.ncbi.nlm.nih.gov/30816489Test

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Quantitative structure-activity relationships for primary aerobic biodegradation of organic chemicals in pristine surface waters:starting points for predicting biodegradation under acclimatization

المؤلفون: Kevin Pinto-Gil, A. Jan Hendriks, Manuel Pastor, Ad M.J. Ragas, Tom M. Nolte

المساهمون: RS-Research Line Learning (part of LIRS program), Academic Field Science

المصدر: Nolte, T M, Pinto-Gil, K, Hendriks, A J, Ragas, A M J & Pastor, M 2018, ' Quantitative structure-activity relationships for primary aerobic biodegradation of organic chemicals in pristine surface waters : starting points for predicting biodegradation under acclimatization ', Environmental Science-Processes & Impacts, vol. 20, no. 1, pp. 157-170 . https://doi.org/10.1039/c7em00375gTest
Environmental Science-Processes & Impacts, 20, 157-170
Environmental Science-Processes & Impacts, 20, 1, pp. 157-170
Environmental Science-Processes & Impacts, 20(1), 157-170. ROYAL SOC CHEMISTRY

مصطلحات موضوعية: 0301 basic medicine, EMERGING CONTAMINANTS, PHARMACEUTICALS, Acclimatization, Microbial Consortia, FATE, Biomass, Quantitative Structure-Activity Relationship, Fresh Water, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, MICROBIAL-DEGRADATION, 03 medical and health sciences, REMOVAL, Environmental Chemistry, Microbial biodegradation, Organic Chemicals, Water pollution, KINETICS, 0105 earth and related environmental sciences, ENVIRONMENT, Chemistry, BIOTRANSFORMATION MODELS, ACTIVITY-RELATIONSHIP MODELS, Public Health, Environmental and Occupational Health, General Medicine, Biodegradation, Models, Theoretical, Aerobiosis, TRANSFORMATION, PRODUCTS, 030104 developmental biology, Biodegradation, Environmental, Environmental chemistry, BACTERIAL CONSORTIUM, Degradation (geology), Water treatment, BIOTRANSFORMATION, Surface water, Water Pollutants, Chemical, Environmental Sciences

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb0eb6b8746c2eaaa0aea29dbf80889cTest
https://research.ou.nl/en/publications/7d681994-1ea7-426c-9567-b7ff763ad027Test

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دورية

QSAR Modeling of Mutagens, Carcinogens (Book).

المصدر: Drug Discovery & Development. Dec2003, Vol. 6 Issue 12, p72-72. 1/3p.

مصطلحات موضوعية: *PUBLISHING, MUTAGENS, CARCINOGENS, TOXICITY testing, DRUG development

Reviews & Products: QUANTITATIVE Structure-Activity Relationship: Models of Mutagens & Carcinogens (Book)

النص الكامل

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