this is for holding javascript data
David Koes edited section_Search_Pharmit_provides_two__.tex
about 8 years ago
Commit id: 91b8f146ad9d40c32deeed0b93b2f67f0be8cc71
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diff --git a/section_Search_Pharmit_provides_two__.tex b/section_Search_Pharmit_provides_two__.tex
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These include molecular weight, the number of rotatable bonds, LogP (a measure of lipophilicity), polar surface area (indicative of ability to permeate cell membranes), the number of aromatic groups, the number of hydrogen bond acceptors, and the number of hydrogen bond donors. Properties are precomputed using OpenBabel \cite{O_Boyle_2011}.
\subsection{Result Browser}
When a
database search is initiated, a
right results sidebar opens to display the search results.
This sidebar may be hidden by pressing the right-facing arrow at the top left of the sidebar, or it may be closed by pressing the "x" in the upper right corner. Results may be sorted in increasing or decreasing order based on
RMSD, mass, RMSD (for pharmacophore searches), similarity score (for shape searches), molecular weight, or number of rotatable
bonds; the sorting method is determined by pressing bonds. Clicking on
a result displays the
name of desired sorting method, and pressing query-aligned compound in the
name again to toggle between increasing and decreasing order. Lavender arrowheads molecular viewer. Compounds are annotated with all known database identifiers, as shown in Figure~\ref{afig}. Where applicable these identifiers are linked to the
right of the sorting method names indicate whether sorting source database, so it is
being performed in increasing (up) or decreasing (down) order. possible t