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Evolutionary algorithm generates tailored molecular fingerprints - Research team develops an improved method for explaining machine predictions of chemical reactions

Evolutionary algorithm generates tailored molecular fingerprints - Research team develops an improved method for explaining machine predictions of chemical reactions
chemeurope.com - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from chemeurope.com Daily Mail and Mail on Sunday newspapers.

Philippm pflFrank gloriusFelix katzenburgHerbert kuchen

Evolutionary algorithm generates tailored molecular fingerprints

Evolutionary algorithm generates tailored molecular fingerprints
phys.org - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from phys.org Daily Mail and Mail on Sunday newspapers.

Felix katzenburgFrank gloriusPhilippm pflInstitute of organic chemistryProf frank gloriusNorganic chemistry

Illuminating the ugly side of science : fresh incentives for reporting negative results

Illuminating the ugly side of science : fresh incentives for reporting negative results
nature.com - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from nature.com Daily Mail and Mail on Sunday newspapers.

Nordrhein westfalenDavid alcantaraBerend smitFrank gloriusCindy huangSander martensWendy rossRobert rosenthalElla peltonenStefan gaillardFelix strieth kalthoffUniversity of ouluSwiss federal institute of technology lausanneEindhoven university of technologyKeisuke takahashi at hokkaido universitySociety for the improvement of science

New computer-aided strategy for assessing the applicability of chemical reactions

Chemists often develop and optimise new chemical reactions using so-called model systems, i.e. simple, easily accessible substrates. They then use up to around 100 other substrates as examples to .

Philippm pflDebanjan ranaFrank gloriusGuangying tanSubstrate selectionUnbiased evaluation

New strategy for assessing the applicability of reactions

New strategy for assessing the applicability of reactions
phys.org - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from phys.org Daily Mail and Mail on Sunday newspapers.

Debanjan ranaFrank gloriusDebanjan rana glorius groupProf frank gloriusGlorius groupStandardizing substrate selectionUnbiased evaluationReaction generality