Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods

• Published in: Chemical science (Cambridge) Vol. 7; no. 4; pp. 264 - 2613
• Main Authors: Kutchukian, Peter S, Dropinski, James F, Dykstra, Kevin D, Li, Bing, DiRocco, Daniel A, Streckfuss, Eric C, Campeau, Louis-Charles, Cernak, Tim, Vachal, Petr, Davies, Ian W, Krska, Shane W, Dreher, Spencer D
• Format: Journal Article
• Language: English
• Published: CAMBRIDGE Royal Soc Chemistry 01.01.2016
• Subjects: Chemical reactions; Chemistry; Chemistry, Multidisciplinary; Collection; Diagnostic systems; Evolution; Failure; Libraries; Physical Sciences; Principal component analysis; Science & Technology; Visualization; REACTION DISCOVERY; BORONIC ACIDS; CROSS-COUPLING REACTIONS; ROBUSTNESS SCREEN; HETEROCYCLIC CARBENE COMPLEXES; PALLADIUM PRECATALYST; RAPID ASSESSMENT; C-H BORYLATION; SUZUKI-MIYAURA; ARYL CHLORIDES

Major new advances in synthetic chemistry methods are typically reported using simple, non-standardized reaction substrates, and reaction failures are rarely documented. This makes the evaluation and choice of a synthetic method difficult. We report a standardized complex molecule diagnostic approac...