3D QSAR: Current State, Scope, and Limitations

All evidence suggests that 3D QSAR techniques will continue to make a valuable con-tribution to the computer-assisted analysis of structure-bioactivity relationships. The search for new descriptors of 3D properties of ligands and innovative strategies to investigate the relationships between these properties and bioactivity continues to be a fruitful research enterprise. Increasing information from structural biology will provide valuable feedback to the hypotheses that form the basis of 3D QSAR methods.