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D‐Optimal Designs in QSAR

Quantitative Structure-Activity Relationships, 1993
AbstractStatistical design in principal properties based on D‐optimality criteria are particularly appropriate for selecting the most informative molecules to be synthesized and tested in the framework of QSAR studies. Selection by D‐optimal designs are better than those based on fractional factorial designs since they allow one to reduce the number of
BARONI, Massimo   +4 more
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D-optimal designs

Chemometrics and Intelligent Laboratory Systems, 1995
Abstract Many classical symmetrical designs have desirable characteristics, one of which is called D-optimality. The D-optimality concept can also be applied to select a design when the classical symmetrical designs cannot be used, such as when the experimental region is not regular in shape, when the number of experiments chosen by a classical ...
P.F. de Aguiar   +4 more
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D-Optimal Designs with Interaction Coverage

Journal of Statistical Theory and Practice, 2009
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Hoskins, Dean S.   +2 more
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On d-optimal designs for binary data

Journal of Statistical Planning and Inference, 1988
We use the criterion of D-optimality of the Fisher information matrix to derive optimal vectors for binary data. Some concepts of totally positive functions and Polya functions of order II are used to derive properties of the determinant of the Fisher information matrix arising in quantal response bioassay and attribute life testing models. As is often
Khan, M. K., Yazdi, A. A.
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D-optimal fractional factorial designs

Statistics & Probability Letters, 1998
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Chiu, Wan-Yi, John, Peter W. M.
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Minimax D‐Optimal Designs for the Logistic Model

Biometrics, 2000
Summary. We propose an algorithm for constructing minimax D‐optimal designs for the logistic model when only the ranges of the values for both parameters are assumed known. Properties of these designs are studied and compared with optimal Bayesian designs and Sitter's (1992, Biometrics, 48, 1145–1155) minimax D‐optimal kk‐designs.
King, Joy, Wong, Weng-Kee
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