extrapolation, and so is less reliable (on average) than prediction within the applicability domain. The assessment of the reliability of QSAR predictions remains a research topic. The QSAR equations can be used to predict biological activities of newer molecules before their synthesis. Examples of machine learning tools for QSAR modeling include: See also References Further reading External links Chemoinformatics Tools, Drug Theoretics and Cheminformatics Laboratory Multiscale Conceptual Model Figures for QSARs in Biological and Environmental Science Medicinal chemistry Drug discovery Cheminformatics Computational chemistry Structure-Activity Relationship paradox