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Welcome to the ChemTree wiki!
ChemTree is an interactive bioinformatics tool designed to explore chemical space and mine for relationships between chemical structure, activity, and molecular properties. ChemTree synergistically combines extended connectivity fingerprints and a neighbor-joining algorithm to produce a phylogenetic-like tree with edge lengths representing molecular similarity. Compound data and molecular properties are represented using as node color and size to yield a single, user-definable visualization of the tree. This tool can be applied to study the overlap in data, structures and/or chemical properties between different compound libraries, as well as to mine structure-activity relationships (SAR) from a single compound library's data set.
The overview of ChemTree:
ChemTree has the following functions:
- Dragging and zooming
- Users can zoom by the middle mouse button.
- If you drag white space, the whole tree will move with your mouse. If you drag one single node, only the node will move.
- Map a property of the node to a physical property
- Circle size
- Circle stroke color
- Search by ligand ID
- Adjust the tree layout by using the slide bar of "Radius of Display"
- Collapsible layout (Users can click the internal node to collapse the subbranch).
Please check pages on the right and http://ajing.github.io/ChemTree/ for more information.