Non-congeneric Structure-Pharmacokinetic Property Correlation Studies Using Fuzzy Adaptive Least-Squares: Volume of Distribution
| Autor: | Hiroyuki Hirano, Izumi Nakagome, Fumiko Yoshii, Ikuo Moriguchi, Shuichi Hirono |
|---|---|
| Rok vydání: | 1994 |
| Předmět: |
Pharmacology
Volume of distribution Chemical substance Stereochemistry Property (programming) Structure (category theory) Biological Availability Pharmaceutical Science General Medicine Fuzzy adaptive Models Biological Least squares Pattern Recognition Automated Correlation Structure-Activity Relationship Fuzzy Logic Humans Pharmacokinetics Tissue Distribution Least-Squares Analysis Biological system Distribution Volume Mathematics |
| Zdroj: | Biological and Pharmaceutical Bulletin. 17:686-690 |
| ISSN: | 1347-5215 0918-6158 |
| Popis: | The correlation of chemical structures with the volume of distribution of 373 miscellaneous medicinals was studied to construct an expert system for predicting the pharmacokinetic properties of organic chemicals. The compounds studied were classified into three groups ; non-aromatics, aromatics, and heteroaromatics. Their total body volumes of distribution observed in human adults were allotted into three ratings, and the relationships with chemical structure were analyzed using the fuzzy adaptive least-squares method recently developed in our laboratory. Quantitative relationship models formulated for the three structure groups gave significant information about factors influencing the volume of distribution, and were statistically reliable both in recognition and leave-one-out prediction despite the diversity and complexity of the structures of the compounds investigated. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|