Journal of Computer-Aided Molecular Design,volume 21,issue 1-3  (01-2014)

Period of time： 2014年1-3期

Publisher： Springer Publishing Company

Founded in： 1987

Total resources： 57

ISSN： 0920-654X

Subject： TP Automation Technology , Computer Technology

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Journal of Computer-Aided Molecular Design,volume 21,issue 1-3

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Editorial

By Stouch Terry,Willett Peter in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 1-2

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Comparative QSAR studies on PAMPA/modified PAMPA for high throughput profiling of drug absorption potential with respect to Caco-2 cells and human intestinal absorption

By Verma Rajeshwar,Hansch Corwin,Selassie Cynthia in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 3-22

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Pushing the boundaries of 3D-QSAR

By Cramer Richard,Wendt Bernd in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 23-32

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Modeling chemical reactions for drug design

By Gasteiger Johann in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 33-52

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Evaluation of machine-learning methods for ligand-based virtual screening

By Chen Beining,Harrison Robert,Papadatos George,Willett Peter,Wood David,Lewell Xiao,Greenidge Paulette,Stiefl Nikolaus in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 53-62

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Outliers in SAR and QSAR: Is unusual binding mode a possible source of outliers?

By Kim Ki in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 63-86

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kScore: a novel machine learning approach that is not dependent on the data structure of the training set

By Oloff Scott,Muegge Ingo in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 87-95

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Antitumor Agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agents

By Zhang Shuxing,Wei Linyi,Bastow Ken,Zheng Weifan,Brossi Arnold,Lee Kuo-Hsiung,Tropsha Alexander in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 97-112

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Lead-like, drug-like or “Pub-like”: how different are they?

By Oprea Tudor,Allu Tharun,Fara Dan,Rad Ramona,Ostopovici Lili,Bologa Cristian in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 113-119

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Design and characterization of an engineered gp41 protein from human immunodeficiency virus-1 as a tool for drug discovery

By Stewart Kent,Steffy Kevin,Harris Kevin,Harlan John,Stoll Vincent,Huth Jeffrey,Walter Karl,Gramling-Evans Emily,Mendoza Renaldo,Severin Jean,Richardson Paul,Barrett Leo,Matayoshi Edmund,Swift Kerry,Betz Stephen,Muchmore Steve,Kempf Dale,Molla Akhter in (2007)

Journal of Computer-Aided Molecular Design,volume 21,issue 1-3 , Vol. 21, Iss. 1-3, 2007-01 , pp. 121-130

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