Plan for synthesizability.
Obtain realistic routes.
Connected to your workflow.
AI can generate thousands of ideas in silico. But the question “can we make it?” still remains. SYNTHIA® Retrosynthesis Software helps you triage large virtual libraries, prioritize feasible targets, and generate practical synthetic pathways from buyable building blocks at scale.
Why route planning becomes the bottleneck
SCALABLE SYNTHESIS
Drug discovery needs scalable assessment of synthesizability across 1,000 to 100,000s of molecules, fast enough to keep pace with HTS/vHTS.
SEAMLESS INTEGRATION
Need for connecting synthesis planning to your drug discovery stack (KNIME, Pipeline Pilot, notebooks, internal platforms).
ROUTE INTELLIGENCE
Need for credible routes, not just scores with reaction details, literature context, and starting material intelligence.
How SYNTHIA® Retrosynthesis Software helps Drug Discovery & Cheminformatics teams
1
Score Molecules Fast
Score Molecules Fast
Use the SYNTHIA® SAS API (synthetic accessibility score) to score molecules from 0–10 and assess up to 100,000 structures per hour before lab prioritization.
2
Generate Real Routes
Generate Real Routes
Use the Full Retro API to generate pathways with reaction SMILES, references, CAS numbers, prices, and starting-material details for prioritization.
3
Connect Existing Workflows
Connect Existing Workflows
Integrate SYNTHIA® with KNIME, Pipeline Pilot, Jupyter, or internal platforms to bring route planning into existing discovery workflows.
4
Prioritize Molecules Earlier
Prioritize Molecules Earlier
Use SAS predictions alongside your discovery data to inform molecule selection before synthesis planning and laboratory capacity decisions.
1
Score Molecules Fast
Score Molecules Fast
Use the SYNTHIA® SAS API (synthetic accessibility score) to score molecules from 0–10 and assess up to 100,000 structures per hour before lab prioritization.
2
Generate Real Routes
Generate Real Routes
Use the Full Retro API to generate pathways with reaction SMILES, references, CAS numbers, prices, and starting-material details for prioritization.
3
Connect Existing Workflows
Connect Existing Workflows
Integrate SYNTHIA® with KNIME, Pipeline Pilot, Jupyter, or internal platforms to bring route planning into existing discovery workflows.
4
Prioritize Molecules Earlier
Prioritize Molecules Earlier
Use SAS predictions alongside your discovery data to inform molecule selection before synthesis planning and laboratory capacity decisions.
Where this fits in your workflow
- High Throughput Screening / hit triage: rank hits by synthesizability before you fall in love with the impossible.
- In-silico screening: keep virtual design grounded in practical chemistry.
- Large library synthesis design: generate synthetic pathways that start from commercial building blocks.
More to explore
PUBLICATIONS & VALIDATION
See how SYNTHIA® is being used and validated across real-world synthesis planning, including decision-support use cases that map well to high-throughput triage and platform workflows.
JOURNAL PAPERS
Dive into peer-reviewed examples where computer-aided synthesis planning supports faster ideation, alternative pathways, and measurable improvements in route design decisions.
API WEBINAR
Bring SYNTHIA® into your existing environment to score and prioritize virtual molecules, then generate pathways programmatically without forcing scientists to change tools. Watch the webinar “High‑throughput retrosynthesis for real‑world chemistry”.
Reach out to us
Quickly go from imagining what’s possible to testing what’s probable with a license that fits your needs.
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