Drug-Polymer Compatibility Engine

MolForge Polymer Lab

Screen any drug SMILES against a curated pharma-polymer library. Hansen solubility parameters, Gordon-Taylor glass-transition mixing, crystallization-propensity index, patent overlap — and AI-generated novel copolymers for patentable drug-polymer couples.

Drug SMILES * Pick from catalog

Drug name (optional)

Storage temperature (°C)

Drug loading levels (% w/w, comma-separated)

Analysis tier Basic 10 credits HSP screen · Tg mixing · stability index · < 2 s wall time. 40-polymer library. No AI, no patents. Pro 50 credits Basic + Gemini 2.5 Pro literature grounding with DOI citations + patent-overlap FTO on the top 5 candidates. Unlimited 200–500 credits Pro + Bayesian-optimization generative copolymers (novel, patent-defensible). Optional RL monomer generation on Vertex GPU.

Hansen Screening

Van-Krevelen group contribution computes δd / δp / δh from any SMILES — then computes Hansen distance against 40 commercial pharma polymers.

Gordon-Taylor Tg

Predicts the glass-transition temperature of the drug:polymer mix at every loading level and flags pairs that fail the T_g−50 °C shelf-life rule.

Crystallization Index

A RDKit-derived propensity score (rigidity × aromatic × H-bond symmetry) flags drugs that nucleate crystals from the amorphous state.

Patent Overlap FTO

Pro tier reuses MolForge's element-wise freedom-to-operate engine to check each top drug-polymer pair against the global patent landscape.

Generative Copolymers

Unlimited tier runs Bayesian optimization over monomer + ratio + MW to propose novel copolymers that minimize Hansen distance and maximize Tg.

Full Report Export

Every run ships a ZIP with per-polymer markdown cards, HSP/Tg CSV, and the raw JSON intelligence report for your patent drafting team.

Polymer Lab predictions are research guidance, not a formulation recipe. Always validate amorphous solid dispersions with experimental PXRD / DSC / dissolution testing. Patent overlap checks are informational and do not constitute legal advice.