Chemical Structures Tools

Agile Bio announces the release of a substructure search engine for its Labcollector Chemical Structures module.

Searching molecules can be easily made using simple Smiles queries or even graphically designed. Queries can also be made by importing MOL representations. This search tool allows a quick and effective management of all chemical structures data.

The chemical structures module can also be used with Chemdraw CDX formats and proteins PDB files. With the Electronic Lab Notebook chemistry plugin option, chemical structures registered in the module can be easily imported in the ELN.

The chemistry plugin features a chemical reactions visual building and insertion in lab book page contents. Reactions can be saved for later reuse in pages.