搜索页_ Quantitative structure-activity relationship (QSAR)

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Wiley电子期刊(23)	ProQuest学位论文(1)	Elsevier电子期刊(1477)
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在“Elsevier电子期刊”中，命中：1,477条，耗时：0.1279391 秒

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1.Diversity selection, screening and quantitative structure-activity relationships of osmolyte-like additive effects on the thermal stability of a monoclonal antibody

作者：Olubukayo-Opeyemi Oyetayo^a ; ^{oyetayophdhbc@gmail.com} ; Oscar Mé ; ndez-Lucio^b ; Andreas Bender^b ; Hans Kiefer^a

关键词：mAb ; Monoclonal antibody ; MOE ; Molecular Operating Environment ; MDS ; Multi-dimensional scaling ; QSAR ; Quantitative structure&ndash ; activity relationship ; DSC ; Differential scanning calorimetry ; DSF ; Differential scanning fluorimetry ; DMSO ; Dimethyl sulfoxide ; NaOH ; Sodium hydroxide ; HCl ; Hydrochloric acid ; LOO-CV ; Leave-one-out cross-validation ; PCA ; Principal components analysis ; PLS ; Partial least squares ; TMAO ; Trimethylamine N-oxide ; Tm ; Melting temperature ; TS potency ; Thermal stabilization

刊名：European Journal of Pharmaceutical Sciences

出版年：2017

2.An orientation sensitive approach in biomolecule interaction quantitative structure-activity relationship modeling and its application in ion-exchange chromatography

作者：Jö ; rg Kittelmann^a ; Katharina M.H. Lang^a ; Marcel Ottens^b ; Jü ; rgen Hubbuch^a ; ^{Juergen.Hubbuch@kit.edu}

关键词：Quantitative structure&ndash ; activity relationship (QSAR) ; Predictive modeling ; Ion-exchange chromatography ; Binding orientation ; Retention modeling ; Isotherm

刊名：Journal of Chromatography A

出版年：2017

3.Investigation and prediction of protein precipitation by polyethylene glycol using quantitative structure-activity relationship models

作者：Frank Hä ; mmerling ^{frank.haemmerling@kit.edu} ; Christopher Ladd Effio ; Sebastian Andris ; Jö ; rg Kittelmann ; Jü ; rgen Hubbuch ; ^{juergen.hubbuch@kit.edu} ;

关键词：Polyethylene glycol ; Precipitation ; Quantitative structure&ndash ; activity relationship (QSAR) ; Semi-mechanistic modeling ; Monoclonal antibody

刊名：Journal of Biotechnology

出版年：2017

4.Modification of polychlorinated phenols and evaluation of their toxicity, biodegradation and bioconcentration using three-dimensional quantitative structure-activity relationship models

作者：Lidan Tong^a ; Lixin Guo^a ; ^{glx69@163.com} ; Xiaojun Lv^b ; Yu Li^c ; ^{liyuxx8@hotmail.com}

关键词：Pentachlorophenol ; Three-dimensional quantitative structure&ndash ; activity relationship ; Molecular design ; Biotoxicity ; Bioconcentration ; Biodegradation

刊名：Journal of Molecular Graphics and Modelling

出版年：2017

5.Antitumor activity of 3,4-ethylenedioxythiophene derivatives and quantitative structure-activity relationship analysis

作者：Marijana Jukić^a ; ^{marijanajukic@mefos.hr} ; Vesna Rastija^b ; ^{vrastija@pfos.hr} ; Teuta Opačak-Bernardi^a ; ^{tbernardi@mefos.hr} ; Ivana Stolić^c ; ^{stolic@vef.hr} ; Luka Krstulović^c ; ^{lkrstulovic@vef.hr} ; Miroslav Bajić^c ; ^{mbajic@vef.hr} ; Ljubica Glava&scaron ; -Obrovac^a ; ^{lgobrovac@mefos.hr}

关键词：Antitumor agents ; Heterocycles ; Computational chemistry ; QSAR ; Drug research ; Cell culturing

刊名：Journal of Molecular Structure

出版年：2017

6.Quantitative structure-activity relationship and molecular docking studies of a series of quinazolinonyl analogues as inhibitors of gamma amino butyric acid aminotransferase

作者：Usman Abdulfatai ; ^{faithyikare4me@gmail.com} ; Adamu Uzairu ; Sani Uba

关键词：QSAR method ; Gamma aminobutyric acid aminotransferase ; Molecular docking ; Density functional theory ; Anticonvulsant ; Genetic function algorithm

刊名：Journal of Advanced Research

出版年：2017

7.Synthesis, evaluation and quantitative structure-activity relationship (QSAR) analysis of Wogonin derivatives as cytotoxic agents

作者：Jinlei Bian¹ ; Tinghan Li¹ ; Tianwei Weng ; Jubo Wang ; Yu Chen ; Zhiyu Li ; ^{zhiyuli@cpu.edu.cn}

关键词：Wogonin ; QSAR ; Cytotoxic ; Flavonoid

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

8.Quantitative structure activity relationship study of p38α MAP kinase inhibitors

作者：Eslam Pourbasheer^a ; Sajjad Ahmadpour^b ; Rohollah Zare-Dorabei^c ; Mehdi Nekoei^d ; ^{nekoei_m1@yahoo.com}

关键词：QSAR ; Genetic algorithm ; Stepwise ; Multiple linear regression ; Pyrazole derivative

刊名：Arabian Journal of Chemistry

出版年：2017

9.Novel anti-tumour barringenol-like triterpenoids from the husks of Xanthoceras sorbifolia Bunge and their three dimensional quantitative structure activity relationships analysis

作者：Da Wang^a ; Dan Su^a ; Bin Yu^a ; Chuming Chen^b ; Li Cheng^a ; Xianzhe Li^a ; Ronggang Xi^c ; Huiyuan Gao^a ; ¹ ; ^{sypugaohy@163.com} ; Xiaobo Wang^c ; ^{wxbbenson0653@163.com}

关键词：Xanthoceras sorbifolia Bunge ; Barrigenol-type triterpenoid ; Antitumor activities ; CoMFA ; CoMSIA ; Health benefits

刊名：Fitoterapia

出版年：2017

10.QSAR study and molecular docking of benzimidazole derivatives as potent activators of AMP-activated protein kinase

作者：Nidal Naceiri Mrabti^a ; ^{nidal.naceirimrabti@usmba.ac.ma} ; Menana Elhallaoui^b

关键词：REA (relative enzyme activity) ; Benzimidazole derivatives ; Quantitative structure&ndash ; activity relationship (QSAR) ; Multiple linear regression (MLR) ; Neural network (NN) ; Molecular docking

刊名：Journal of Taibah University for Science

出版年：2017

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