Submit a target and choose a service. We run it on our in-house AI stack, a PhD synthetic chemist reviews every result, and you receive a decision-ready report — retrosynthesis, genotoxic-impurity, ADMET, structure prediction, generative design and more. Confidential and NDA-backed.
Pick a service and send your molecule as SMILES, a structure file (MOL/SDF), an image, or a PDF.
Your query is processed in-house on our curated, custom-trained AI pipelines.
A PhD synthetic chemist checks, curates and interprets every result before it ships.
You receive a decision-ready report, with a reference number for follow-up.
A growing suite of computational chemistry and drug-discovery services, each delivered as an expert-reviewed report. Don't see what you need? Choose "Other" and describe it.
Our flagship offering: AI-generated synthesis routes, verified, scaled and costed by a PhD synthetic chemist. Every route report ships with a transparent cost sheet and, where relevant, a freedom-to-operate (FTO) view.
Route design for a new chemical entity, with a chemistry-based freedom-to-operate (FTO) landscape review and a costed synthesis sheet. Informational — not legal advice.
Route redesign for a known compound to reduce cost of goods, delivered with a comparative cost sheet.
Regulatory-oriented route for a generic API, structured to support DMF filing, with cost sheet.
Design-around API route intended to steer clear of published patent claims, with a chemistry-based FTO rationale and cost sheet. Informational — not legal advice.
Synthesis and analytical characterization of specified API impurities, with a documented report.
Cost-effective route development and scale-up planning for clinical-stage CDMO compounds, with cost sheet.
Predicted reagents, solvents and conditions for a target transformation, expert-checked.
ICH M7-style structural-alert screening and impurity risk report for your API or intermediate.
Occupational exposure banding and potent-compound handling classification.
Goal-directed molecule generation against your target profile and constraints.
Rational combination proposals with mechanism-aware rationale.
Protein / complex structure & co-folding prediction for your sequence or target.
Absorption, distribution, metabolism, excretion and toxicity prediction report.
Early developability and formulation-route feasibility assessment.
Structured dossier compiled from FDA drug data and label information.
Company or pipeline profile for diligence and partnering.
Most single-molecule reports are returned within a few business days. We confirm scope and timing after reviewing your request.
Submit it and get back an expert-reviewed report your team can act on.
Submit a Request