Basically you break the body of molecules you are trying to compress and operate into cubes each with a 3d body. so each cube represents that portion of the body and down its lineages are approximated ranges that scale more and more (kind of like focusing more on what the substance is like at different scales effecting the cube body model at that juncture) with different degrees of aspect focus. You use the AI to model the lineages from AI experimental analytics and also use the AI to to upscale the linage frame line as to ascertain other points along the line.
So if you are simulating a small blood vessel you have an efficient amount of other body data being figured out on the super computer to simulate drug effects in great detail.