Software | Application field | Developed by |
CLUSTERMAP | CLUSTERMAP is a program to analyze the solutions in the optimum Pareto front as produced in multi-objective optimization processes. The application organizes the solutions into similarity groups by means of conventional cluster techniques and then, using these groupings produces graphs which will enable the detailed study of these groupings and deriving conclusions about the convenience of the optimal solutions obtained. | Universidade de Santiago de Compostela |
MCR | MCR-ALS is an algorithm that solves the MCR basic bilinear model using a constrained Alternating Least Squares algorithm. The constraints used to improve the interpretability of the profiles in C and ST may respond to chemical properties of these profiles (e.g., non-negativity, unimodality, closure, …) or have a mathematical origin (e.g., local rank and selective windows, trilinear structure,…). The flexibility in ‘where-and-how’ applying constraints and the capability to treat the most diverse multiset structures are the main assets of this algorithm. The ‘art’ and expertise in using MCR-ALS stems from the proper selection and application of the constraints that are really fulfilled by the data set and from the ability to envision how to design and to deal with the most informative multiset structures. | Universitat de Barcelona - IQAC CSIC |
PREGA v. 7.0 | PREGA is a package of programmes developed to allow the off-line optimization of HPLC separations. Departing from a few experiments, PREGA develops a retention model for the compounds in the mixture to be separated. That model will be used to predict chromatograms, thus enabling optimize isocratic and gradient separations. Practically any type of gradient can be explored (linear, curved, multilinear and stepwise gradients are available). Moreover, additional variables such as the temperature, pH, buffer concentration and mobile phase flow rate can be manipulated and optimized by the package. PREGA is highly interactive although friendly, allowing optimizations using the more conventional CRF functions but also, for the first time in chromatography, Pareto optimization. In the new version 7, all modules of previous versions have been organized into only two programs. | Universidade de Santiago de Compostela |
SUPERSAT v. 4.4 | SUPERSAT is an application for the general resolution of supersaturated matrices. In the new version, many published matrices are pre-loaded and D.O.E. experiments developed under NemrodW can be imported directly. | Universidade de Santiago de Compostela |
Última actualización / last update: October 19th, 2015
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