CAS Registry Services℠

CAS SciFinder®

Mais do que uma base de dados de literatura e compostos químicos, o CAS SciFinder aproveita a curadoria humana para oferecer insights relevantes e acionáveis, acelerando sua inovação.

Hexagon shaped overlay
CAS SciFinder® image tile

Why use CAS SciFinder for retrosynthesis?

CAS SciFinder is built on the largest collection of reaction data and gives you the ability to interact with your synthesis plan in real time.

  • Design optimal synthesis plans from target to starting materials. 
  • Explore alternatives at every step with visible evidence. 
  • Connect your plans with reaction details, supplier data, and more.

Synthesis plans tailored to your needs

Every retrosynthesis plan is created for a unique purpose. CAS SciFinder allows you to fully customize your plan from start to finish, enabling increased creativity and stronger results.

  • Focus on specific parts of a known or predicted molecule.
  • Adjust your plan based on yield, starting material cost, complexity, and more.
  • Exclude entire steps or individual reactants that don’t meet your criteria.
"Retrosynthesis in CAS SciFinder definitely opens you up to new possibilities... This expands your horizons and makes you think outside of your own personal toolbox."
Senior scientist/Fellow
Pharmaceuticals company

Evidence-based retrosynthesis

Transparency is a key component of effective retrosynthesis planning. With integrated evidence, CAS SciFinder provides key information for each proposed step so you can make informed decisions.

  • Explore experimental precedents based on existing literature. 
  • See reagent and condition details. 
  • Dive into alternate routes with comparative data.
Stylized image of data server racks with blue and yellow hexagonal graphic overlays.

Retrosynthesis backed by 150 years of expertise

The CAS SciFinder retrosynthesis capabilities are powered by:

  • CAS-curated reaction data – the largest, most accurate collection of diverse chemical reactions, extracted from journals and patents and curated by scientists. 
  • The CAS Content Collection™ – a comprehensive, human-curated scientific knowledgebase that supports reliable, evidence-based synthesis planning. 
  • AI trained on verified, structured data – enabling predictive retrosynthesis that’s transparent, reproducible, and grounded in real-world chemistry, not aggregated from unverified sources. 

Case study: How CAS SciFinder helped a CDMO improve its synthesis efforts

Challenge: A contract development and manufacturing organization sought CAS SciFinder to find research precedents and uncover synthesis options for various applications.

Solution: The organization used CAS SciFinder to devise a stronger synthesis plan with easier collaboration between colleagues. This led to accelerated discovery and reduced costs.

Read the full case study
Two-page brochure with a scientific theme, featuring a beaker with liquid on the front page and test tubes filled with red liquid on the back page, branded by CAS.

Related articles

Find a better route: Optimizing AI for more novel synthetic predictions

Brazilian company resolves critical logistical challenge with CAS SciFinder Discovery Platform™

Struggling to keep up with chemical industry innovation?