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Molecules 2001, 6(11), 915-926; doi:10.3390/61100915
Article

A New Effective Algorithm for the Unambiguous Identification of the Stereochemical Characteristics of Compounds During Their Registration in Databases

1 and 2,3,*
1 Cieplak Consulting, Sulzbach, Germany 2 MDL Information Systems GmbH, Frankfurt/Main, Germany 3 Pedagogical University, Slupsk, Poland
* Author to whom correspondence should be addressed.
Received: 15 July 2001 / Accepted: 24 October 2001 / Published: 31 October 2001
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Abstract

A new effective algorithm for handling of geometry at chiral centers for the processing of stereochemical structures during their unambiguous registration in databases was designed, programmed and implemented. The chemical and mathematical reasoning behind the algorithm are discussed in detail. Its advantages- in comparison to the methods used so far - are illustrated for the manual as well as for the computerassisted assignment of stereodescriptors based on the CIP ranking procedure.
Keywords: Stereochemistry; CIP; Stereodescriptors; Determinant algorithm; Chirality Stereochemistry; CIP; Stereodescriptors; Determinant algorithm; Chirality
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Cieplak, T.; Wisniewski, J.L. A New Effective Algorithm for the Unambiguous Identification of the Stereochemical Characteristics of Compounds During Their Registration in Databases. Molecules 2001, 6, 915-926.

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