Algorithmic Analysis of Cahn−Ingold−Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation. and is 100% accurate in all 300 test cases provided. The CIP algorithm in ChemDoodle is validated against the test suite provided by Hanson et. Stereochemical features in your structures will be assigned "R", "S", "E", "Z", "M" and "P" descriptors. to remove any ambiguities and describe a completely consistent system for CIP assignments.ĬhemDoodle implements all 6 current CIP rules as well as auxilliary desciptors and mancude ring support. The most recent CIP rules from IUPAC were then algorithmically analyzed and standarized by Hanson et al. These rules were adopted by IUPAC for naming standards and fully described in the Blue books. While flawed, they have seen many revisions over the decades and were clarified by the work of Paulina Mata. It can be used for web-based creation of 2-D molecular drawings or 3-D modeling.įind other uses for ChemDoodle or ChemDoodle 3D? Email to have them featured here.The CIP rules have long been the standard for describing configurations of stereochemical features in a molecule.
ChemDoodle Web Components enable export from ChemDoodle into formats that will work on most smartphones and tablets.Mobile Versions of ChemDoodle are available for accessing and creating molecular drawings on both iOS and Android mobile devices.
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