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A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics .
New graph-theoretic algorithms were invented by Lederberg, Harold Brown, and others that generate all graphs with a specified set of nodes and connection-types (chemical atoms and bonds) -- with or without cycles. Moreover, the team was able to prove mathematically that the generator is complete, in that it produces all graphs with the ...
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Note how the size of the carbon appears smaller than the hydrogen. The importance of stereochemistry was not then recognised and the model is essentially topological (it should be a 3-dimensional tetrahedron). Jacobus Henricus van 't Hoff and Joseph Le Bel introduced the concept of chemistry in three dimensions of space, that is, stereochemistry.
The need to combine chemistry search with biological data produced by screening compounds at ever-larger scales led to implementation of systems such as MACCS. [ 46 ] : 73–77 [ 47 ] This commercial system from MDL Information Systems made use of an algorithm specifically designed for storage and search within groups of chemicals that differed ...
What are the best foods for stronger, healthier, more resilient nails? We reached out to registered dietitians to find out. Let’s dive in. 1. Greek Yogurt. Healthy nails need protein and lots of it.