All chemical space articles
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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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Research
Automatic 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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Research
Tool 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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Research
Robots explore chemistry’s dark spaces
Thousands of nanoscale experiments create map of reactions that don’t work
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Research
Six degrees of chemical separation
Network analysis provides insight into navigating chemical space
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Webinar
Future 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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Research
Super-electrophilic ions enable selective modification of bioactive molecules
New technique will help medicinal chemists explore chemical space
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Research
Plotting 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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Research
Automated 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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Research
Robotic chemist explores chemical space
Robotic system can autonomously carry out and analyse chemical reactions
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Research
Tamed 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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Feature
Navigating chemical space
Fully exploring the ocean of possible compounds – even computationally – is impossible, finds Philip Ball
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Opinion
Chemical 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
