搜索页_ (Quantitative) structure-activity-relationships

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在“Elsevier电子期刊”中，命中：812条，耗时：0.1929381 秒

在所有数据库中总计命中：11,451条

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.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

3.A case study for orphaned chemicals: 4-methylcyclohexanemethanol (MCHM) and propylene glycol phenyl ether (PPH) in riverine sediment and water treatment processes

作者：Jennifer Weidhaas^a ; ^{jennifer.weidhaas@mail.wvu.edu" class="auth_mail" title="E-mail the corresponding author} ; ^{jennifer.weidhaas@utah.edu" class="auth_mail" title="E-mail the corresponding author} ; Lian-Shin Lin^b ; Karen Buzby^b

关键词：Activated carbon ; Sorption ; Desorption ; River sediments ; Oxidation ; Quantitative structure activity relationships

刊名：Science of the Total Environment

出版年：2017

4.Transformation products in the water cycle and the unsolved problem of their proactive assessment: A combined in vitro/in silico approach

作者：Jakob Menz ^{jakob.menz@leuphana.de} ; Anju Priya Toolaram ^{anjutoolaram@yahoo.com} ; Tushar Rastogi ^{tushar.rastogi@leuphana.de} ; Christoph Leder ^{cleder@leuphana.de} ; Oliver Olsson ^{oliver.olsson@leuphana.de} ; Klaus Kü ; mmerer ; ^{klaus.kuemmerer@leuphana.de} ; Mandy Schneider ^{mandy.schneider@leuphana.de}

关键词：4-OH PPL ; 4-Hydroxypropranolol ; 5-OH PPL ; 5-Hydroxypropranolol ; 7-OH PPL ; 7-Hydroxypropranolol ; AOP ; Advanced oxidation process ; ANOVA ; Analysis of variance ; DAD ; Diode array detector ; EDA ; Effect-directed analysis ; ESI-IT-MS ; Electrospray ionization ion trap mass spectrometry ; IR ; Induction ratio ; LC-MS ; Liquid chromatography-mass spectrometry ; LBT ; Luminescent bacteria test ; NPOC ; Non-purgeable organic carbon ; PPL ; Propranolol ; (Q)SAR ; (Quantitative) structure-activity-relationships ; ThEL ; The

刊名：Environment International

出版年：2017

5.Gaining in pan-affinity towards sigma 1 and sigma 2 receptors. SAR studies on arylalkylamines

作者：Daniela Rossi^a ; ^&dagger ; ; Marta Rui^a ; Marcello Di Giacomo^a ; Dirk Schepmann^b ; Bernhard Wü ; nsch^b ; Stefania Monteleone^c ; ^&dagger ; ; Klaus R. Liedl^c ; Simona Collina^a ; ^{simona.collina@unipv.it}

关键词：Sigma receptors ; Arylalkylamine ; Pan-affinity ; QSAR

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

6.Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships

作者：Xianhai Yang^a ; Huihui Liu^b ; Qian Yang^a ; ^c ; Jining Liu^a ; ^{ljn@nies.org" class="auth_mail" title="E-mail the corresponding author} ; Jingwen Chen^d ; ^{jwchen@dlut.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Lili Shi^a

关键词：Endocrine disrupting chemical (EDC) ; Bisphenols ; Anti-androgenic activity ; Human androgen receptor (hAR) ; Quantitative structure-activity relationships (QSAR) ; Molecular docking

刊名：Chemosphere

出版年：2016

7.Quantitative structure retention/activity relationships of biologically relevant 4-amino-7-chloroquinoline based compounds

作者：Sandra &Scaron ; egan^a ; ^{sgaica@chem.bg.ac.rs" class="auth_mail" title="E-mail the corresponding author} ; Igor Opsenica^b ; Mario Zlatović^b ; Du&scaron ; anka Milojković-Opsenica^b ; Bogdan &Scaron ; olaja^b

关键词：4‑Amino-7-chloroquinoline ; Reversed-phase thin-layer chromatography (RPTLC) ; Lipophilicity ; Quantitative structure-retention relationship (QSRR) ; Quantitative structure activity relationship (QSAR)

刊名：Journal of Chromatography B, Analytical Technologies in the Biomedical and Life Sciences

出版年：2016

8.PQSAR: The membrane quantitative structure-activity relationships in cheminformatics

作者：Ammar Adl ; ^a ; ^{ammaradl@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Moustafa Zein^b ; ^{moustafazn@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Aboul Ella Hassanien^b ; ^c ; ^{aboitcairo@gmail.com" class="auth_mail" title="E-mail the corresponding author} ;

关键词：Quantitative structure activity relationships (QSAR) ; Similarity measurements ; Similarity searching strategy ; P System ; Chemical search space ; Drug discovery

刊名：Expert Systems with Applications

出版年：2016

9.Synthesis and in silico analysis of the quantitative structure-activity relationship of heteroaryl-acrylonitriles as AChE inhibitors

作者：Pedro De-la-Torre^a ; ^b ; ^{pdelatorre@utalca.cl" class="auth_mail" title="E-mail the corresponding author} ; ^{pldelatorrem@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Adriana V. Treuer^a ; Margarita Gutierrez^a ; Horacio Poblete^b ; ^c ; Jans H. Alzate-Morales^b ; Jorge Trilleras^d ; Luis Astudillo-Saavedra^a ; Julio Caballero^b ; ^{jcaballero@utalca.cl" class="auth_mail" title="E-mail the corresponding author} ; ^{jmcr77@yahoo.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Heteroaryl&ndash ; acrylonitriles ; Quantitative structure&ndash ; activity relationships ; CoMSIA ; Knoevenagel condensation ; Cholinesterases

刊名：Journal of the Taiwan Institute of Chemical Engineers

出版年：2016

10.Quantitative relationships between structure and cytotoxic activity of flavonoid derivatives. An application of Hirshfeld surface derived descriptors

作者：Bogumiła Kupcewicz^a ; ^{kupcewicz@cm.umk.pl" class="auth_mail" title="E-mail the corresponding author} ; Magdalena Małecka^b ; Mariusz Zapadka^a ; Urszula Krajewska^c ; Marek Rozalski^c ; Elzbieta Budzisz^d

关键词：QSAR ; Hirshfeld surface ; Cytotoxicity ; Flavonoid derivatives ; Pyrazoline

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2016

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