ChemInform Abstract: The LILITH Approach to Organic Synthesis Planning

Autor:	Guido Sello, Giordano Sala, Luca Baumer
Rok vydání:	2010
Předmět:	chemistry.chemical_compound Basis (linear algebra) Chemistry Chemical polarity Excited state Convergence (routing) Organic synthesis General Medicine Ground state Space (mathematics) Interference (wave propagation) Algorithm
Zdroj:	ChemInform. 22
ISSN:	0931-7597
Popis:	The general basis of the LILITH program is outlined. The size of the possible solution space is reduced by enhancing convergence, simplification and ordering. Complexity distance, relevant bond sets and ordering for bond-forming sequences are described. The evaluation of reactivity is the second main aspect in organic synthesis planning. Properties involving the ground state (native bond polarity) and the excited state (group-similar interference) contribute to the prediction of reactivity.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::06138b5af5a909a3eb8089d278684de1 https://doi.org/10.1002/chin.199107362 Zobrazit plný text záznamu Plný text