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Download - QSAR/QSPR Search Algorithms Toolbox 1.0
 

QSAR/QSPR Search Algorithms Toolbox 1.0

QSAR/QSPR Search Algorithms Toolbox
In this submission we present the code of the Replacement Method (RM) [1-4] and Enhanced Replacement Method (ERM)[5], that were proposed some time ago by our group. Both methods produce linear regression QSPR-QSAR models that are quite close the FS (full search) ones with much less computational work. These techniques approach the minimum of S by judiciously taking into account the relative errors of the coefficients of the least-squares model...

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