Manipulating lists of chemical dyes using SDFile intermediaries
ChemFinder and ChemDraw provide many tools for list analysis. This video demonstrates how to exchange data between ChemACX, ChemDraw, and ChemFinder. The video summarizes the preliminary research for finding some new azobenzene dyes in the following conceptual framework:
- Finding commercially-available dyes via a substructure search in ChemACX.
- Creating a set of possible dye molecules and comparing to the ChemACX list.
- Exporting a set of molecules to individual structures in a library, for use in later analysis.
Goal: Find azobenzene dyes that are not commercially available.
- Locate azobenzene structures from ChemACX (using "Refine Search")
- Import into ChemFinder (via SDFile export)
- Draw azobenzene with variable attachments in ChemDraw
- Expand Generic Structure and export as SDFile
- Merge into ChemFinder database (via structure match)
- Identify expansion structures which are not in ChemACX (via subtraction list)
- Export those identified structures into SDfile
- Create library of 100 ChemDraw objects (using ChemBioFinder/Office)
- R-group analysis of azobenzene attachments
to update your profile.
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