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\paragraph{Model Application}  SMARTCyp is a QSAR model that predicts the sites of cytochrome P450-mediated metabolism of drug like molecules directly from the 2D structure of a molecule using fragment based energy rules \cite{Rydberg_2010}.  Toxtree \cite{Patlewicz_2008}  is a Java GUI application for estimating the ``toxic hazard'' of molecules using a variety of toxicity prediction modules, such as oral toxicity, skin and eye irritation prediction, covalent protein binding and DNA binding, Cytochrome P450-mediated drug metabolism (using SMARTCyp) and more. \cite{Patlewicz_2008} UG-RNN/AquaSol \cite{Lusci_2013} is an undirected graph recursive neural network that has been trained to predict aqueous solubility from molecular graphs.  \paragraph{Visualization}  CheS-Mapper (chemical space mapper) is a 3D-viewer for small compounds in chemical datasets. It embeds a dataset into 3D space in such a way that the relationship between the structure of chemical compounds, their physico-chemical properties, and biological or toxic effects can be analyzed. In chemical space, compounds that have similar descriptor values places close to each other. CheS-Mapper can calculate variety of descriptors and supports clustering and 3D alignment \cite{G_tlein_2012}\cite{G_tlein_2014}.