title: Current complexity: a tool for assessing the complexity of organic molecules.
abstract: Molecular complexity for a synthetic organic chemist is difficult to define, though intuitively known. Despite the importance of this concept, the quantitative assessment of complexity within organic chemistry has remained a challenge. We report here on the development of an approach for generating a unique complexity index, which is reflective of both intrinsic molecular complexity and extrinsic synthetic complexity. This index is based on a community's perception of complexity, within the context of current technology, calculating a molecule's current complexity. Our approach allows for a direct comparison between molecules, the analysis of trends within research programs, it enables an assessment (and comparison) of new synthetic approaches to known molecules and is capable of following a molecule's apparent complexity as it changes over time.
authors.affiliation: Chemical Development, Bristol-Myers Squibb, 1 Squibb Drive, New Brunswick, NJ 08903, USA. martin.eastgate@bms.com.
authors.forename: Jun
authors.initials: J
authors.lastname: Li
authors.forename: Martin D
authors.initials: MD
authors.lastname: Eastgate
mesh_terms: D048088:Informatics / Q000379:methods*; D009930:Organic Chemicals / Q000138:chemical synthesis / Q000737:chemistry*; D012984:Software
chemical_list: D009930:Organic Chemicals