EA Inventor

EA-Inventor™ is a new and different approach to de novo design. It enables researchers to "invent" new compounds (for in silico lead discovery), new R-groups around a fixed scaffold (for lead exploration), or new scaffolds (for lead- or scaffold-"hopping"). Unlike typical de novo design programs, EA-Inventor gives the user control over how the new structures are generated and scored. EA-Inventor is a general de novo design engine and can be used for both receptor-based and ligand-based design. Invented structures are usually worthy of synthesis but, in all cases, serve to spark and complement the imagination of both CAMD scientists and bench chemists. EA-Inventor is a de novo design engine which can be used in conjunction with any desired scoring function (or composite scoring function).

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