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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

Journal of computer-aided molecular design, 2002-05, Vol.16 (5-6), p.357-369

2002

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Rational selection of training and test sets for the development of validated QSAR models

Journal of computer-aided molecular design, 2003-02, Vol.17 (2-4), p.241-253

2003

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Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining

Journal of computer-aided molecular design, 2005-04, Vol.19 (4), p.229-242

2005

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Chemistry, information and Frank: a tribute to Frank Brown

Journal of computer-aided molecular design, 2018-07, Vol.32 (7), p.723-729

2018

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

Journal of computer-aided molecular design, 2007-01, Vol.21 (1-3), p.97-112

2007

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Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening

Journal of computer-aided molecular design, 2008-09, Vol.22 (9), p.593-609

2008

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Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: I. Method development

Journal of computer-aided molecular design, 2009-11, Vol.23 (11), p.773-784

2009

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Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: II. Case studies and applications

Journal of computer-aided molecular design, 2009-11, Vol.23 (11), p.785-797

2009

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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

Rational selection of training and test sets for the development of validated QSAR models

Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining

Chemistry, information and Frank: a tribute to Frank Brown

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

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: I. Method development

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: II. Case studies and applications

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