All chemical space articles
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ResearchAccelerating chemical discovery through high-throughput experimentation: in conversation with Matthew Gaunt
Professor Matthew Gaunt from the University of Cambridge shares his thoughts on HTE and the role of automation and computational models in discovering new chemical space.
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ResearchStudy challenges notion that solution-phase organic reactions are unfeasible at high temperatures
Capillary synthesis at 500°C converts N-substituted pyrazoles into their isomers within five minutes
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ResearchTransformation analysis reveals structural similarities in FDA-approved drugs
Reaction informatics tools combined to create a new method for mapping chemical space
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WhitepaperRoutine testing with RADIAN ASAP mass detection
Download this free white paper to discover how the RADIAN ASAP Direct Mass Detector can quickly answer your analytical questions
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ResearchBlue light squeezes out heteroatoms from small rings
Photochemical ring editing reaction allows complete molecular shape change in a single step
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ResearchMolecular complexity index could help find proof of alien life
Is it microbes on Venus or just lifeless planetary processes? Discovery could help scientists identify life on other planets
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ResearchAlgorithm can map scores of possible chemical transformations for any set of reactants
New tool could help scientists to control the properties of target molecules by simply switching the reaction while using the same starting materials
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ResearchAutomatic conformer investigator takes tedium out of exploring low-energy chemical space
Quantum chemical calculations drive program that quickly and easily builds up plausible ensembles of molecular conformers
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ResearchTool to navigate chemical space aims to be ‘Google Maps of drugs’
Software allows links between 8000 drugs and 47,000 compounds of environmental concern to be explored in 3D
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ResearchRobots explore chemistry’s dark spaces
Thousands of nanoscale experiments create map of reactions that don’t work
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ResearchSix degrees of chemical separation
Network analysis provides insight into navigating chemical space
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WebinarFuture chemistry: exploring the possibility space
Find out how to accelerate discovery by understanding vast and complex chemistry problems with visual and predictive data modelling
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ResearchSuper-electrophilic ions enable selective modification of bioactive molecules
New technique will help medicinal chemists explore chemical space
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ResearchPlotting a course to new antibiotics
Mapping out the chemical space of peptide antibiotics offers an efficient way to find new compounds
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ResearchAutomated exploration of chemical space finds two new reactions
Synthetic chemists hit on undiscovered reactions by processing data from a high throughput screen of tens of thousands of potential products
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ResearchRobotic chemist explores chemical space
Robotic system can autonomously carry out and analyse chemical reactions
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ResearchTamed radicals expand chemical space
A method to functionalise complex molecules with catalytic radicals could expand chemical libraries of the drug and agrochemical industry
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FeatureNavigating chemical space
Fully exploring the ocean of possible compounds – even computationally – is impossible, finds Philip Ball
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OpinionChemical space is big. Really big
You think it’s a long way to the back of your screening libraries? That’s peanuts to chemical space, says Derek Lowe