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Calculated Conformational Energy Cutoff Values

Molecular energies calculated by - computational chemistry methods are fundamental descriptors commonly used in QSAR models moreover, energies are used as cutoff values for the selection of the most important conformation(s). Besides the... [Pg.354]


See other pages where Calculated Conformational Energy Cutoff Values is mentioned: [Pg.190]    [Pg.190]    [Pg.187]    [Pg.190]    [Pg.421]    [Pg.20]    [Pg.727]    [Pg.372]    [Pg.145]    [Pg.711]    [Pg.143]    [Pg.472]   


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Calculated value

Conformation energy calculations

Conformational calculations

Conformational energy calculations

Conformational energy cutoffs

Conformer energy

Cutoff

Cutoff values

Energy cutoffs

Energy values

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