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The carso (Computer Aided Response Surface Optimization) Procedure in Optimization Studies

Applied Mathematics 2015年第11期6卷 1947-1956页

作者： Mauro Fernandi Massimo Baroni Matteo Bazzurri Paolo Benedetti Danilo Chiocchini Diego Decastri Cynthia Ebert Lucia Gardossi Giuseppe Marco Randazzo Sergio Clementi Flint Group Cinisello Balsamo Milano Italy Biology Biotechnology and Chemistry Department Section Chemistry University of Perugia Perugia Italy M.I.A. Multivariate Infometric Analysis Srl Perugia Italy Department of Chemistry and Pharmaceutical Sciences University of Trieste Trieste Italy

The paper illustrates innovative ways of using the carso (Computer Aided Response Surface Optimization) procedure for response surfaces analyses derived by DCM4 experimental designs in multivariate spaces. Within this method, we show a new feature for optimization studies: the results of comparing their quadratic and linear models for discussing the best way to compute the most reliable predictions of future compounds.

关键词： carso Procedure Design Strategies Double Circulating Matrices (DCMs) Optimization

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Mixture Optimization by the carso Procedure and DCM Strategies

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Applied Mathematics 2014年第19期5卷 3026-3039页

作者： Sergio Clementi Mauro Fernandi Diego Decastri Matteo Bazzurri Chemistry Department University of Perugia Perugia Italy M.I.A. Multivariate Infometric Analysis Srl Perugia Italy Flint Group Italia Cinisello Balsamo Milano Italy

The paper illustrates a new way of using the carso procedure for response surfaces analyses derived from innovative experimental designs in multivariate spaces, based on Double Circulant Matrices (DCMs). We report a case study regarding a design based on a DCM for 4 variables. The final response surface model is obtained by the formerly developed carso method.

关键词： carso Procedure Design Strategies Circulant Matrices (DCM) Optimization

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Experimental Design for Optimizing a Mixture of Materials plus an Evaporating Solvent

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Applied Mathematics 2015年第10期6卷 1740-1746页

作者： Mauro Fernandi Diego Decastri Matteo Bazzurri Sergio Clementi Flint Group Cinisello Balsamo Milano Italy Chemistry Department University of Perugia Perugia Italy M.I.A. Multivariate Infometric Analysis Srl Perugia Italy

The paper illustrates a further new way of using the carso procedure for response surfaces analyses derived from experimental designs based on Double Circulant Matrices (DCMs). We report a case study regarding a design based on a mixture of three chemicals plus an evaporating solvent, in order to compare the relative reliability of designs based either on 3 only or on all 4 factors. We show that both designs give the same results, but the second is preferable because it represents the real situation at the beginning of the process, so that it is possible to know the required amount of solvent that should be used for each experiment. Obviously this applies to any number of factors using the correspondent DCM.

关键词： carso Procedure Design Strategies Circulant Matrices (DCM) Optimization

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Mauro: A Novel Strategy for Optimizing Mixture Properties

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Applied Mathematics 2012年第10期3卷 1260-1264页

作者： Sergio Clementi Mauro Fernandi Massimo Baroni Diego Decastri Giuseppe Marco Randazzo Fabrizio Scialpi Flint Group Cinisello Balsamo Milano Italy Laboratory for Chemometrics and Cheminformatics Chemistry Department University of Perugia Perugia Italy M.I.A. Multivariate Infometric Analysis Srl Perugia Italy Molecular Discovery Ltd. London England

The paper illustrates an innovative procedure for experimental design in mixture analysis. It relies on D-optimal designs performed on the combinatorial explosion of five levels of components composition, keeping in mind the requirements of Central Composite Designs. The final response surface model is obtained by the formerly developed carso method.

关键词： Mixture Analysis Optimization Design Strategies carso Procedure

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