𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computer Automated Structure Evaluation (CASE) of the teratogenicity of retinoids with the aid of a novel geometry index

✍ Scribed by Gilles Klopman; Mario L. Dimayuga

Book ID
104631666
Publisher
Springer Netherlands
Year
1990
Tongue
English
Weight
607 KB
Volume
4
Category
Article
ISSN
0920-654X

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✦ Synopsis

The CASE (Computer Automated Structure Evaluation) program, with the aid of a geometry index for discriminating cis and trans isomers, has been used to study a set of retinoids tested for teratogenicity in hamsters. CASE identified 8 fragments, the most important representing the non-polar terminus of a retinoid with an additional ring system which introduces some rigidity in the isoprenoid side chain. The geometry index helped to identify relevant fragments with an all-trans configuration and to distinguish them from irrelevant fragments with other configurations.

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