The fundamental axiom of organic chemistry—that molecular structure dictates function—is often viewed as a one-way causal street. However, this study proposes a recursive theoretical model where the intrinsic chemical properties of atoms (composition) and their resultant bonding potential are the primary determinants of complex organic structures. By utilizing AlphaFold 3 (AF3) as a structural proof-of-concept, we demonstrate that the transition from atomic "tokens" to 3D conformations is a deterministic process governed by electronic and thermodynamic constraints. Our research proves that the vast diversity of organic substances is not an accidental geometric occurrence but a physical manifestation of the underlying chemical property landscape.
Asmak Pal (Thu,) studied this question.