[Application of artificial intelligence techniques in organic chemistry. Study, by computer, of NMR 13C of steroids].
This work describes the utilization of two groups of programs in searching for characteristic signals of NMR 13C of steroidal compounds. The first group of programs used data bases with the spectral data and a methodology that enables the choice and the search of substructures. The chemical shifts and multiplicities for each specific substructure are used as rules to identify different types and subtypes of steroidal compounds. The second one was built to apply the rules formulated by the first group of programs and to foresee any skeletal based on a spectral analysis.
Lins
A P
AP
Seção de Farmacologia, Instituto Biológico, São Paulo.
Furlan
M
M
Gastmans
J P
JP
Emerenciano
V de P
Vde P
D001185:Artificial Intelligence; D002247:Carbon Isotopes; D009682:Magnetic Resonance Spectroscopy; D012984:Software; D013256:Steroids / Q000737:chemistry*
D002247:Carbon Isotopes; D013256:Steroids
Aplicações de técnicas de inteligência artificial em química orgânica. Estudo, por computador, de RMN 13C de esteróides.