Chemischer InformationsdienstVolume 12, Issue 48 Other Subjects ChemInform Abstract: COMPATIBILITY OF THE FREE-WILSON AND HANSCH QUANTITATIVE STRUCTURE-ACTIVITY RELATIONS L. J. SCHAAD, L. J. SCHAADSearch for more papers by this authorB. A. JUN. HESS, B. A. JUN. HESSSearch for more papers by this authorW. P. PURCELL, W. P. PURCELLSearch for more papers by this authorA. CAMMARATA, A. CAMMARATASearch for more papers by this authorR. FRANKE, R. FRANKESearch for more papers by this authorH. KUBINYI, H. KUBINYISearch for more papers by this author L. J. SCHAAD, L. J. SCHAADSearch for more papers by this authorB. A. JUN. HESS, B. A. JUN. HESSSearch for more papers by this authorW. P. PURCELL, W. P. PURCELLSearch for more papers by this authorA. CAMMARATA, A. CAMMARATASearch for more papers by this authorR. FRANKE, R. FRANKESearch for more papers by this authorH. KUBINYI, H. KUBINYISearch for more papers by this author First published: December 1, 1981 https://doi.org/10.1002/chin.198148358AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume12, Issue48December 1, 1981 RelatedInformation

A physically based method for arriving at topological indexes is described. The derived indexes correlate with molecular surface areas and with the molecular connectivity index. The newly derived index seems to account better for the expected distinctions among primary, secondary, and tertiary alcohol aqueous solubilities. This study suggests that the Del Re method for calculating molecular charges and dipole moments also may be used, without appreciable change, to provide estimates of molecular refraction.

A simple form of pattern recognition is successfully used to classify a set of structurally diverse therapeutic agents. By using only organic structural information, the major pharmacological classes present were correctly identified and the pharmacologically unrelated compounds were separated out. One technique of factor analysis—principal component analysis—is shown to be readily adaptable in preprocessing the data. Simple graphical representation of the results enables their direct interpretation.

Diamagnetic susceptibilities of 44 divers aromatic molecules were successfully predicted from molecular superdelocalizabilities calculated from Hückel molecular orbital theory.

One of the preprocessing methods used in pattern recognition-factor analysis-is shown to be well suited to the derivation of structure-activity relationships. Applications of the procedure developed are illustrated using sets of compounds which are of accepted therapeutic utility.

Antigen distribution and clearance studied in vivo may be viewed as a pharmacokinetic problem complicated by the intervention of the immune response. A model characterizing the clearance of the simple antigen øΨ174 from the bloodstream of various experimental animals, as well as the subsequent serum antibody response, was developed. The present model is the simplest of the possible models and no doubt will have to be modified when considering more complex antigens, additional distribution modes, and differences in antibody reactivity. For the primary (IgM) immune response, however, early events in the immunological response can be adequately accounted for in a consistent and quantitative manner.

AbstractToxizitäten an disubstituierten Aromaten werden theoretisch diskutiert.

There is firm experimental and theoretical justification for expecting that solution theories, in this case regular solution theory, can be applied in a semi-empirical manner to questions of biological interest. This background is outlined and one of the possible models resulting from the use of regular solution theory is applied to the analysis of erythrocyte haemolysis. Suggestive evidence arising from correlations of n-octanol-water partition coefficients with parameters appropriate to this approach tends to indicate that regular solution theory may apply to a wider variety of biological systems than has previously been thought.

Chemischer InformationsdienstVolume 3, Issue 18 Preparative Organic Chemistry ChemInform Abstract: STRUKTUR-AKTIVITAETS-BEZIEHUNGEN AUFGRUND DER LOESUNGSTHEORIE A. CAMMARATA, A. CAMMARATASearch for more papers by this authorS. J. YAU, S. J. YAUSearch for more papers by this authorK. S. ROGERS, K. S. ROGERSSearch for more papers by this author A. CAMMARATA, A. CAMMARATASearch for more papers by this authorS. J. YAU, S. J. YAUSearch for more papers by this authorK. S. ROGERS, K. S. ROGERSSearch for more papers by this author First published: May 2, 1972 https://doi.org/10.1002/chin.197218171AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume3, Issue18May 2, 1972 RelatedInformation

A semiempirical method is developed by which molar attraction constants and cohesive energy densities (the Hildebrand-Scott solubility parameter δ) can be calculated for relatively nonpolar substances. In the simplest possible modification of the method, only molecular polarizabilities and molar volumes must be known to effect the calculation. Good agreement between the experimental and theoretical estimates is obtained. To illustrate the method, the cohesive energy densities are calculated for some drug agents and formulation constituents.

Chemischer InformationsdienstVolume 3, Issue 38 Preparative Inorganic Chemistry ChemInform Abstract: DIE WECHSELBEZIEHUNGEN ZWISCHEN DEN FUER STRUKTUR-AKTIVITAETSANALYSEN VERWENDETEN REGRESSIONSMODELLEN A. CAMMARATA, A. CAMMARATASearch for more papers by this author A. CAMMARATA, A. CAMMARATASearch for more papers by this author First published: September 19, 1972 https://doi.org/10.1002/chin.197238052AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume3, Issue38September 19, 1972 RelatedInformation