How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models

Research output: Contribution to journalJournal articleResearchpeer-review

Standard

How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models. / Rinnan, Åsmund; Christensen, Niels Johan; Engelsen, Søren Balling.

In: Journal of Computer - Aided Molecular Design, Vol. 24, No. 1, 2010, p. 17-22.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Rinnan, Å, Christensen, NJ & Engelsen, SB 2010, 'How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models', Journal of Computer - Aided Molecular Design, vol. 24, no. 1, pp. 17-22. https://doi.org/10.1007/s10822-009-9308-x

APA

Rinnan, Å., Christensen, N. J., & Engelsen, S. B. (2010). How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models. Journal of Computer - Aided Molecular Design, 24(1), 17-22. https://doi.org/10.1007/s10822-009-9308-x

Vancouver

Rinnan Å, Christensen NJ, Engelsen SB. How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models. Journal of Computer - Aided Molecular Design. 2010;24(1):17-22. https://doi.org/10.1007/s10822-009-9308-x

Author

Rinnan, Åsmund ; Christensen, Niels Johan ; Engelsen, Søren Balling. / How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models. In: Journal of Computer - Aided Molecular Design. 2010 ; Vol. 24, No. 1. pp. 17-22.

Bibtex

@article{ffb35d8c26ed45c3830a82e04cae22b8,
title = "How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models",
author = "{\AA}smund Rinnan and Christensen, {Niels Johan} and Engelsen, {S{\o}ren Balling}",
year = "2010",
doi = "10.1007/s10822-009-9308-x",
language = "English",
volume = "24",
pages = "17--22",
journal = "Journal of Computer - Aided Molecular Design",
issn = "0920-654X",
publisher = "Springer",
number = "1",

}

RIS

TY - JOUR

T1 - How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models

AU - Rinnan, Åsmund

AU - Christensen, Niels Johan

AU - Engelsen, Søren Balling

PY - 2010

Y1 - 2010

U2 - 10.1007/s10822-009-9308-x

DO - 10.1007/s10822-009-9308-x

M3 - Journal article

VL - 24

SP - 17

EP - 22

JO - Journal of Computer - Aided Molecular Design

JF - Journal of Computer - Aided Molecular Design

SN - 0920-654X

IS - 1

ER -

ID: 32904116