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US 2023/0266308 A1Published application
Uses of systems with degrees of freedom poised between fully quantum and fully classical states
AssigneesUniversity of Vermont, Tampere University of Technology
InventorsStuart Kauffman, Samuli Niiranen, Gábor Vattay
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Abstract
Disclosed herein are systems and uses of systems operating between fully quantum coherent and fully classical states. Such systems operate in what is termed the “Poised realm” and exhibit unique behaviors that can be applied to a number of useful applications. Non-limiting examples include drug discovery, computers, and artificial intelligence
Claims21
A method of drug discovery, comprising:
- selecting a biological target;
- screening a library of candidate molecules by conducting an in vitro binding assay to identify a first subset of candidate molecules that bind to the biological target;
- determining the energy level spacing distribution of a quantum degree of freedom in each of the candidate molecules in the first subset by evaluating their mean energy level spacing as a function of energy;
- comparing the energy level spacing distribution to at least one pre-determined reference function to determine a degree of similarity of the energy level spacing distribution and the reference function;
- and
- selecting a second subset of molecules from the first subset as drug candidates for drug development or medicinal chemistry based on the comparison, wherein the second subset of molecules are more likely to contain biologically active molecules than the first subset of molecules.
3 more elements
A method of drug discovery, comprising:
- selecting a biological target;
- screening a library of candidate molecules by conducting an in vitro binding assay to identify a first subset of candidate molecules that bind to the biological target;
- determining the energy level spacing distribution of a quantum degree of freedom in each of the candidate molecules in the first subset by evaluating their mean energy level spacing as a function of energy;
- conducting an in vitro or in vivo assay for biological activity on each of the candidate molecules in the first subset;
- correlating the energy level spacing distribution with activity determined from the in vitro or in vivo assay;
- determining the energy level spacing distributions of a quantum degree of freedom in a new set of candidate molecules by evaluating their mean energy level spacing as a function of energy;
- comparing the energy level spacing distributions of the new set of candidate molecules with energy level spacing distributions that correlate with biological activity to determine their degree of similarity;
- and
- selecting as drug candidates from the new set of candidate molecules for drug development or medicinal chemistry those molecules whose energy level spacing distributions exhibit a pre-determined level of similarity to the energy level spacing distributions that correlate with biological activity, wherein the selected drug candidates are more likely to contain biologically active molecules than non-selected molecules from the new set of candidate molecules.
6 more elements
21-28. (canceled)
Dependencies are inferred from the claim text.