Method and means for synthesis-based simulation of chemicals hav

Details Method and means for synthesis-based simulation of chemicals hav Method and means for synthesis-based simulation of chemicals hav

1996-12-06

1999-01-19

Kemmerer, Elizabeth

Data processing: measuring, calibrating, or testing

Measurement system in a specific environment

Chemical analysis

702 19, 528 1, G06F 1900, G06F 1700

Patent

active

058625143

ABSTRACT:
This invention provides a computer-executed method and means for simulating chemical synthesis. The invention concerns the simulation, by a programmed general purpose digital computer, of chemicals that have biological functions, and more specifically, concerns computer-implemented simulation of such chemicals based upon their synthesis and their assayed biological activity.

REFERENCES:
patent: 5463564 (1995-10-01), Agrafiotis et al.
Foundations of Quantum Mechanics I, Ludwig, G., Springer-Verlag, New York, pp. 32-40, 1983.
Hendrickson, et al., The Syngen approach to synthesis design Analytica Chemica Acta v.1235, pp. 103-113, 1990.

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