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中国地质文献-英文(3)	SpringerLink电子期刊(125)	NATURE电子期刊(2)	Elsevier电子期刊(313)
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在“Elsevier电子期刊”中，命中：313条，耗时：0.1249413 秒

在所有数据库中总计命中：525条

1.Quantitative structure-property relationships for predicting sorption of pharmaceuticals to sewage sludge during waste water treatment processes

作者：L. Berthod^a ; ^b ; D.C. Whitley^b ; ^{david.whitley@port.ac.uk} ; G. Roberts^a ; ¹ ; A. Sharpe^a ; ² ; R. Greenwood^c ; G.A. Mills^b

关键词：Pharmaceuticals ; Sewage sludge ; Sorption ; Partition coefficient ; Quantitative structure-property relationship (QSPR) ; Artificial neural networks

刊名：Science of The Total Environment

出版年：2017

2.Using qualitative models to define sustainable management for the commons in data poor conditions

作者：Francesca Mancini^a ; ^{r03fm14@abdn.ac.uk}Author Vitae ; George M. Coghill^bAuthor Vitae ; David Lusseau^aAuthor Vitae

关键词：Common-pool resources ; Loop analysis ; Nature-based tourism ; Press-pulse dynamics ; Predictive conservation ; Sustainable development

刊名：Environmental Science & Policy

出版年：2017

3.Prediction and mechanism elucidation of analyte retention on phospholipid stationary phases (IAM-HPLC) by in silico calculated physico-chemical descriptors

作者：Giacomo Russo^a ; ^{giacomo.russo@unina.it} ; Lucia Grumetto^a ; Francesco Barbato^a ; Giulio Vistoli^b ; Alessandro Pedretti^b

关键词：Immobilized artificial membrane ; Prediction of phospholipid affinity ; IAM-HPLC ; Quantitative structure-property relationship models ; Biochromatography

刊名：European Journal of Pharmaceutical Sciences

出版年：2017

4.Predicting PR EOS binary interaction parameter using readily available molecular properties

作者：Agelia M. Abudour^a ; Sayeed A. Mohammad^a ; Robert L. Robinson Jr.^a ; Khaled A.M. Gasem^a ; ^b ; ^{gasem@uwyo.edu}

关键词：Peng-Robinson equation of state ; Cubic equations of state ; Vapor-liquid equilibrium ; Generalized model ; Binary interaction parameters

刊名：Fluid Phase Equilibria

出版年：2017

5.In silico receptor-based drug design of X,Y-benzenesulfonamide derivatives as selective COX-2 inhibitors

作者：David J. Pé ; rez^a ; Orlando Sarabia^a ; Manuel Villanueva-Garcí ; a^b ; Kayim Pineda-Urbina^a ; Á ; ngel Ramos-Organillo^a ; Jorge Gonzalez-Gonzalez^a ; Zeferino Gó ; mez-Sandoval^a ; ^{zgomez@ucol.com} ; Rodrigo Said Razo-Herná ; ndez^a ; ^c ; ^{rrazo@ucol.mx}

关键词：QSAR ; Docking ; Cyclooxygenase ; Benzenesulfonamides ; Drug design ; Artificial neural networks

刊名：Comptes Rendus Chimie

出版年：2017

6.Predicting the superheat limit temperature of binary mixtures based on the quantitative structure property relationship

作者：Lulu Zhou ; Juncheng Jiang ; ^{jcjiang@njtech.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Lei Ni ; Yong Pan ; Jun Yao ; Zhirong Wang

关键词：Quantitative structure property relationship ; Superheat limit temperature ; Binary mixtures

刊名：Journal of Loss Prevention in the Process Industries

出版年：2016

7.QSPR models for predicting generator-column-derived octanol/water and octanol/air partition coefficients of polychlorinated biphenyls

作者：Jintao Yuan^a ; ^c ; Shuling Yu^b ; Ting Zhang^c ; Xuejie Yuan^d ; Yunyuan Cao^a ; Xingchen Yu^a ; Xuan Yang^a ; Wu Yao^a ; ^{yaowu@zzu.edu.cn" class="auth_mail" title="E-mail the corresponding author}

关键词：QSPR ; quantitative structure property relationship ; PCBs ; polychlorinated biphenyls ; KOW ; octanol/water partition coefficient ; KOA ; octanol/air partition coefficient ; MLR ; multiple linear regression ; HQSAR ; hologram quantitative structure&ndash ; activity relationship ; OPS ; ordered predictor selection ; A ; atomic numbers ; B ; bond types ; C ; atomic connections ; H ; hydrogen ; Ch ; chirality ; DA ; donor and acceptor ; HL ; hologram length ; LVs ; latent variables ; HL ; hologram length ; SEE ; standard error of e

刊名：Ecotoxicology and Environmental Safety

出版年：2016

8.Quantitative structure-property relationships in propene polymerization by zirconocenes with a rac-SiMe₂[Ind]₂ based ligand framework

作者：Mikhail S. Kuklin^a ; Ville Virkkunen^b ; Pascal M. Castro^b ; Vyatcheslav V. Izmer^c ; Dmitry S. Kononovich^c ; Alexander Z. Voskoboynikov^c ; Mikko Linnolahti^a ; ^{mikko.linnolahti@uef.fi" class="auth_mail" title="E-mail the corresponding author}

关键词：Propene polymerization ; Metallocenes ; DFT ; Molecular descriptors ; Multiple regression models

刊名：Journal of Molecular Catalysis A: Chemical

出版年：2016

9.Multicomponent phase behavior predictions using QSPR-generalized NRTL and UNIQUAC models

作者：Younas Dadmohammadi^a ; Solomon Gebreyohannes^a ; Brian J. Neely^a ; Khaled A.M. Gasem^b ; ^{gasem@uwyo.edu" class="auth_mail" title="E-mail the corresponding author}

关键词：Ternary systems ; Phase behavior prediction ; Parameter generalization ; NRTL ; UNIQUAC and QSPR

刊名：Fluid Phase Equilibria

出版年：2016

10.Quantitative structure property relationship modeling of excipient properties for prediction of formulation characteristics

作者：Vinod L. Gaikwad^a ; ^{vinod_gaikwad29@yahoo.com" class="auth_mail" title="E-mail the corresponding author} ; Neela M. Bhatia^b ; ^{neelabhatia@yahoo.co.uk" class="auth_mail" title="E-mail the corresponding author} ; Sujit A. Desai^b ; ^{sujitdesai37@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Manish S. Bhatia^b ; ^{drmsbhatia13@gmail.com" class="auth_mail" title="E-mail the corresponding author}

关键词：API ; active pharmaceutical ingredient ; CCS ; croscarmellose sodium ; ENM ; enalapril maleate ; HPMC ; hydroxy propyl methyl cellulose ; IPA ; isopropyl alcohol ; MCC ; microcrystalline cellulose ; MDS ; molecular design suite ; MET ; metformin hydrochloride ; MLR ; multiple linear regression ; PVP ; polyvinyl pyrrolidone ; QSPR ; quantitative structure property relationship ; SSG ; sodium starch glycolate ; USP ; United States Pharmacopeia

刊名：Carbohydrate Polymers

出版年：2016

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