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在“Elsevier电子期刊”中，命中：592条，耗时：0.1369058 秒

在所有数据库中总计命中：1,121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.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

4.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

5.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

6.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

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.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

9.Aquatic toxicity structure-activity relationships for the zwitterionic surfactant alkyl dimethyl amine oxide to several aquatic species and a resulting species sensitivity distribution

作者：Scott E. Belanger^a ; ^{Belanger.se@pg.com" class="auth_mail" title="E-mail the corresponding author} ; Jessica L. Brill^a ; Jane M. Rawlings^a ; Kathleen M. McDonough^a ; Ann C. Zoller^b ; Kenneth R. Wehmeyer^b

关键词：Amine oxide ; QSAR ; Species Sensitivity Distribution ; Fish embryo test ; Daphnia magna ; Algae

刊名：Ecotoxicology and Environmental Safety

出版年：2016

10.A best comprehension about the toxicity of phenylsulfonyl carboxylates in Vibrio fischeri using quantitative structure activity/property relationship methods

作者：Eduardo Borges de Melo^a ; ^{eduardo.b.de.melo@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Joã ; o Paulo Athaí ; de Martins^b ; Eduardo Hö ; sel Miranda^a ; Má ; rcia Miguel Castro Ferreira^c

关键词：Aquatic toxicity ; Water solubility ; Environmental risk ; Partial least squares ; Quantitative structure-activity relationships

刊名：Journal of Hazardous Materials

出版年：2016

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