%0 Journal Article %K Computer Simulation %K Models, Molecular %K Structure-Activity Relationship %K Algorithms %K Molecular Structure %K Isomerism %B Journal of Molecular Graphics and Modelling %D 2010 %G eng %N 3 %P 443-449 %R 10.1016/j.jmgm.2010.08.007 %T Complementing ultrafast shape recognition with an optical isomerism descriptor %V 29 %1 0138 %8 2010 Nov %9 Research Article