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2D-3D MIGRATION OF LARGE CHEMICAL INVENTORIES WITH CONFORMATIONAL MULTIPLICATION. APPLICATION OF THE GENETIC ALGORITHM
Citation:
MEKENYAN, O. G., T. PAVLOV, V. GRANSHAROV, M. TODOROV, P. K. SCHMIEDER, AND G. D. VEITH. 2D-3D MIGRATION OF LARGE CHEMICAL INVENTORIES WITH CONFORMATIONAL MULTIPLICATION. APPLICATION OF THE GENETIC ALGORITHM. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 45:283-292, (2005).
Impact/Purpose:
To examine the applicability of the 3D database in assessing the impact of molecular flexibility on identifying active conformers in QSAR analysis
Description:
The applicability of the 3D database in assessing the impact of molecular flexibility on identifying active conformers in QSAR analysis and assessing similarity between chemicals is illustrated
Record Details:
Record Type:DOCUMENT( JOURNAL/ PEER REVIEWED JOURNAL)
Product Published Date:02/22/2005
Record Last Revised:11/14/2007
OMB Category:Other
Record ID:
161871