Implementation of the Cahn-Ingold-Prelog System for Stereochemical Perception in the LHASA Program

Paulina Mata, Ana M. Lobo, Chris Marshall, A. Peter Johnson

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

The CIP system for identification and specification of stereogenic units has been implemented in the LHASA program. This new implementation of the CIP system, according to its 1982 revision, is described. The main improvements introduced are an extension of the capabilities for handling the representations of stereobonds, for the identification of stereogenic centers (chiral and pseudoasymmetric), prochiral centers, and double bonds, and mainly in the implementation of the CIP sequence rules for comparison of the ligands.

Original languageEnglish
Pages (from-to)491-504
Number of pages14
JournalJournal Of Chemical Information And Computer Sciences
Volume34
Issue number3
DOIs
Publication statusPublished - 1 May 1994

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