Lipid structure handling and computing
The Chemistry Development Kit is an open source cheminformatics toolkit that supports converting formats which represent linear line notations and 2D and 3D structure formats, recognizing of substructures for lipid class identification, visualization of chemical structures, computation of the InChI and InChIKey, accurate mass calculations, converting accurate mass into matching chemical formula. and calculating chemical similarity.
LIPID MAPS uses cookies to keep the site working, to remember your choices, and — only if you allow it — to understand how the site is used so we can improve it. Choose what you are happy with below. You can change your mind at any time from Manage Cookies in the footer.
A free account takes a minute and lets you:
Citing LIPID MAPS in your publications shows the impact of the resource and helps keep it free for everyone. The citation page lists the papers to cite for each database and tool.