"How the energy evaluation method used in the geometry optimization step ..."

Åsmund Rinnan, Niels Johan Christensen, Søren Balling Engelsen (2010)

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DOI: 10.1007/S10822-009-9308-X

access: closed

type: Journal Article

metadata version: 2020-05-30

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Åsmund Rinnan, Niels Johan Christensen, Søren Balling Engelsen:
How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models. J. Comput. Aided Mol. Des. 24(1): 17-22 (2010)

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