In plain English: most drug candidates fail — and the late they fail, the more they cost. Quantum Pharma runs the classical pre-screens (RDKit / Biopython) that wash out the non-starters fast, then routes the quantum-heavy steps to real IBM Heron. Every screen is sealed with a hybrid post-quantum signature chain.
A molecule that washes out in Phase II took years and a fortune to get there. The cheapest failure is the one you catch at the bench.
There are more drug-like molecules than atoms in the solar system. You can't synthesize your way through it — you have to screen first.
FDA GxP and 21 CFR Part 11 want every screen, every decision, immutable. A result you can't re-derive is a result a regulator won't accept.
Deterministic RDKit pre-screens as the source of truth, with quantum lead-optimization routed to a real IBM QPU — disclosing real_backend_resolved:false whenever it serves a classical baseline.
Wash out the non-starters fast — drug-likeness, virtual screening, ADMET safety prediction at the bench.
Improve the survivors — quantum-kernel lead optimization and binding-affinity estimation against the target.
Conformer search, protein-folding simulation and de-novo generation — the shapes that make or break a fit.
Drug-drug interaction analysis and genomic-variant screening — the safety signals that matter before the clinic.
A working pre-screen bench. Enter a molecule's descriptors and it checks Lipinski's Rule of Five and Veber's rules, plots each property against its limit, flags the ADMET liabilities, and seals the screen — the deterministic gate that decides what's worth quantum lead-optimization.
RDKit rules wash out the molecules that can't be oral drugs — fast, deterministic, recomputable by hand.
Survivors go to quantum-kernel lead optimization and binding-affinity estimation on a real IBM QPU when it earns escalation.
Every screen sealed with a hybrid post-quantum signature chain to one published provenance root — FDA-audit-ready.
real_backend_resolved:false when it serves a classical baseline. Signatures are deterministic and reproducible from public anchors — FRE 902(13)/902(14) self-authentication: any third party can re-derive and verify.Add Quantum Pharma to your watsonx Orchestrate workspace, or let the Prompt Builder wire it into a screen-optimize-seal chain.