All chematica articles
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ResearchAlgorithm devises synthetic contingency plans for Covid-19 drug
Retrosynthesis software tool can identify multiple synthetic routes that use inexpensive and diverse starting materials while avoiding patented methods
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Research
Program finds 5 million synthetic routes to complex chemicals
Only around five hundred ‘tactical combinations’ for advanced organic synthesis existed – until Chematica was let loose on the problem
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Research
Retrosynthetic algorithm broadened to design similar, but different, molecules
Chematica can now design efficient syntheses for large compound libraries
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Research
Synthesis-searching software’s superior scoring sharpens selections
Realistic costs and diverse suggestions make Chematica more insightful
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Research
Patent-busting AI tool navigates around protected drug pathways
Organic retrosynthesis software can identify key bonds involved in patented reactions to find alternative pathways
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Webinar
Synthia – retrosynthetic design software for practising chemists
See a technology overview of Synthia and its use in synthetic design. The webinar includes a live demo and an explanation of the licensing and service models available
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Research
AI-invented syntheses are a hit in their lab debut
First proof that routes devised by an algorithm work in practice could make organic chemistry accessible to non-experts
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Business
Merck KGaA to buy Chematica
Retrosynthesis tool will gain computational muscle and integrate with Sigma–Aldrich catalogue
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News
Software could revolutionise chemistry
futureComputer program can tell chemists how to make new molecules from scratch
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Research
Linguistic statistics enable synthetic prophetics
A metric more commonly used by search engines to analyse language can now power organic chemistry retrosyntheses
