Journal of Computer-Aided Molecular Design,volume 18,issue 7-9  (07-2014)

Period of time： 2014年7-9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 18,issue 7-9

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An automated PLS search for biologically relevant QSAR descriptors

By Olah Marius,Bologa Cristian,Oprea Tudor in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 437-449

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Variable selection and model validation of 2D and 3D molecular descriptors>

By Nicholls Anthony,MacCuish Norah,MacCuish John in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 451-474

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Locally Linear Embedding for dimensionality reduction in QSAR

By L’Heureux P.-J.,Carreau J.,Bengio Y.,Delalleau O.,Yue S. in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 475-482

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Genetic algorithms and self-organizing maps: a powerful combination for modeling complex QSAR and QSPR problems

By Bayram Ersin,Santago Peter,Harris Rebecca,Xiao Yun-De,Clauset Aaron,Schmitt Jeffrey in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 483-493

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Variable selection and specification of robust QSAR models from multicollinear data: arylpiperazinyl derivatives with affinity and selectivity for α2-adrenoceptors

By Salt D.,Maccari L.,Botta M.,Ford M. in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 495-509

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Comparison of commercially available genetic algorithms: GAs as variable selection tool

By Schefzick Sabine,Bradley Mary in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 511-521

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Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening

By Good Andrew,Cho Sung-Jin,Mason Jonathan in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 523-527

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Measuring CAMD technique performance: A virtual screening case study in the design of validation experiments

By Good Andrew,Hermsmeier Mark,Hindle S.A. in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 529-536

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QSAR modeling based on the bias/variance compromise: a harmonious

By Kalivas John,Forrester Joel,Seipel Heather in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 537-547

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Validation tools for variable subset regression

By Baumann Knut,Stiefl Nikolaus in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 7-9 , Vol. 18, Iss. 7-9, 2004-07 , pp. 549-562

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