Utility of the Substituent Entropy Constants [sigma]so in the Studies of Quantitative Structure-Activity Relationships

Utility of the Substituent Entropy Constants [sigma]so in the Studies of Quantitative Structure-Activity Relationships

Values of the substituent entropy constants σso for monosubstituted methane and benzene derivatives were determined from the standard entropy of the 3rd law of thermodynamics. This parameter is orthogonal to σt or σπ, and seems preferable to π, Es, MR, Mw, Pr and Vw. Two examples of QSAR are success...

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Veröffentlicht in:Chemical & pharmaceutical bulletin 1981-10, Vol.29 (10), p.3073
Hauptverfasser: SASAKI, YOSHIO, TAKAGI, TATSUYA, YAMAZATO, YOKICHI, IWATA, AKIHIRO, KAWAKI, HIDEKO
Format: Artikel
Sprache:eng
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Zusammenfassung:Values of the substituent entropy constants σso for monosubstituted methane and benzene derivatives were determined from the standard entropy of the 3rd law of thermodynamics. This parameter is orthogonal to σt or σπ, and seems preferable to π, Es, MR, Mw, Pr and Vw. Two examples of QSAR are successfully analysed in terms of σso.
ISSN:0009-2363
1347-5223