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

Author： Rinnan Åsmund Christensen Niels Engelsen Søren

Publisher： Springer Publishing Company

ISSN： 0920-654X

Source： Journal of Computer-Aided Molecular Design, Vol.24, Iss.1, 2010-01, pp. : 17-22

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Step response optimization method of switched reluctance motor

By Stepien Slawomir Bernat Jakub

COMPEL: Int J for Computation and Maths. in Electrical and Electronic Eng., Vol. 30, Iss. 3, 2011-05 ,pp. : 841-852

Emerald Group Publishing Ltd

Access to resources Recommend Favorite

Automatic differentiation for electromagnetic models used in optimization

By Enciu P. Wurtz F. Gerbaud L. Delinchant B.

COMPEL: Int J for Computation and Maths. in Electrical and Electronic Eng., Vol. 28, Iss. 5, 2009-09 ,pp. : 1313-1326

Emerald Group Publishing Ltd

Access to resources Recommend Favorite

A First Step Towards the Use of Proper General Decomposition Method for Structural Optimization

By Leygue A.

Archives of Computational Methods in Engineering, Vol. 17, Iss. 4, 2010-12 ,pp. : 465-472

Springer Publishing Company

Access to resources Recommend Favorite

Bottom-up evaluation and query optimization of well-founded models

By Kemp D.B. Srivastava D. Stuckey P.J.

Theoretical Computer Science, Vol. 146, Iss. 1, 1995-07 ,pp. : 145-184

Elsevier

Access to resources Recommend Favorite

A novel workflow for the inverse QSPR problem using multiobjective optimization

By Brown Nathan McKay Ben Gasteiger Johann

Journal of Computer-Aided Molecular Design, Vol. 20, Iss. 5, 2006-05 ,pp. : 333-341

Springer Publishing Company

Access to resources Recommend Favorite