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Quantitative Structure-activity Relationship

open access: yes, 2017
The book, which is related to QSAR in sciences, is divided into five main chapters. The first chapter is the Introductory chapter. The second chapter aims to provide an update of the recent advances in the field of rational design of PDE inhibitors.
openaire   +2 more sources

Quantitative structure-activity relationships

1979
Designing of biologically active molecules on a rational basis is of utmost importance to medicinal chemists. Until about the late 1950’s most of the structure-activity correlations were emperical and qualitative. Although attempts have been made to apply quantitative methods to biological activity since last century, a major effort in this field has ...
A K, Saxena, S, Ram
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Quantitative Structure-Activity Relationships and Carminative Activity

Journal of Pharmaceutical Sciences, 1978
Carminative activities of 34 alcohols, esters, ethers, phenols, and carbonyl compounds were determined using the guinea pig isolated ileum preparation and are expressed as the ability to produce a 50% inhibition (ID50) of a standard response to carbachol. Aqueous solubilities were measured at 37 degrees using either UV absorption or GLC.
B K, Evans, K C, James, D K, Luscombe
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Toxicity and quantitative structure-activity relationships of colchicines

Journal of Medicinal Chemistry, 1981
A method for extracting LD50 values from antitumor test data is described. A quantitative structure--activity relationship (QSAR) for 7- and 10-substituted colchicines is presented. This correlation equation closely parallels that which had been derived earlier for potency. This result indicates that attempts to modify 7- and 10-substituted colchicines
F R, Quinn, Z, Neiman, J A, Beisler
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Quantitative Structure Activity Relationships in Drug Metabolism

Current Topics in Medicinal Chemistry, 2006
This review of 61 references delineates contemporary computation quantitative structure activity relationship (QSAR) approaches that have been used to elucidate the molecular features that influence the binding and metabolism of a compound by the major phase 1 and phase 2 metabolising enzymes; Cytochrome P450 (CYP) and UDP-glucuronosyltransferase (UGT),
Kamaldeep K, Chohan   +2 more
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Cytotoxicity of furoxans: quantitative structure-activity relationships study

Il Farmaco, 2004
AbstractFor Abstract see ChemInform Abstract in Full Text.
Mariana, Boiani   +2 more
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Nonparametric Regression Applied to Quantitative Structure−Activity Relationships

Journal of Chemical Information and Computer Sciences, 2000
Several nonparametric regressors have been applied to modeling quantitative structure-activity relationship (QSAR) data. The simplest regressor, the Nadaraya-Watson, was assessed in a genuine multivariate setting. Other regressors, the local linear and the shifted Nadaraya-Watson, were implemented within additive models--a computationally more ...
Pere Constans, Jonathan D. Hirst
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Sorption and Quantitative Structure-Activity Relationship (QSAR)

2014
The sorption of pesticides to soils or sediments is the major factor determining their mobility, transport and bioavailability in terrestrial and aquatic environments. The organic matter is the primary sorption domain in soils or sediments and sorption is considered to be primarily a partitioning process between soil organic matter and the surrounding ...
Aleksandar Sabljic, Yoshiaki Nakagawa
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Quantitative Structure–Activity Relationships of Antimicrobial Compounds

2012
A thorough antimicrobial reviewof an increasing number of reports reveals a broad spectrum of research activity in the development practices that are used to treat a variety of diseases. The quantitative relationship between chemical structure and biological activity has received considerable attention in recent years because it allows one to predict ...
Maguna, Fabiana Paola   +2 more
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Quantitative Structure-Activity Relationships of Renin Inhibitors

Mini-Reviews in Medicinal Chemistry, 2003
A review is presented on quantitative structure-activity relationships (QSARs) of renin inhibitors which have potential as antihypertensive and cardiovascular agents. They inhibit the renin, an enzyme that is involved in the rate-limiting first step of the renin angiotensin system (RAS).
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