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QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
Expert Opinion on Drug Discovery, 2014Quantitative structure-activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. However, despite the large amount of information on QSAR, no recent review has published and discussed this data in detail.In this ...
Mario R. Estrada +3 more
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2012
Structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR) models are increasingly used in toxicology, ecotoxicology, and pharmacology for predicting the activity of the molecules from their physicochemical properties and/or their structural characteristics. However, the design of such models has many traps for unwary
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Structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR) models are increasingly used in toxicology, ecotoxicology, and pharmacology for predicting the activity of the molecules from their physicochemical properties and/or their structural characteristics. However, the design of such models has many traps for unwary
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Journal of Computer-Aided Molecular Design, 2004
3D-QSAR is typically used to construct models (1) to predict activities, (2) to illustrate significant regions, and (3) to provide insight into possible interactions. To the contrary, examples are described herein which make it clear that the predictivity of such models remains elusive, that so-called significant regions are subject to the vagaries of ...
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3D-QSAR is typically used to construct models (1) to predict activities, (2) to illustrate significant regions, and (3) to provide insight into possible interactions. To the contrary, examples are described herein which make it clear that the predictivity of such models remains elusive, that so-called significant regions are subject to the vagaries of ...
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Journal of Computer-Aided Molecular Design, 2008
This perspective concerns the methods employed within the current drug discovery community to develop predictive quantitative structure-activity relationships (QSAR). Specifically, a number of cautions are provided which may circumvent misuse and misunderstanding of the technique.
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This perspective concerns the methods employed within the current drug discovery community to develop predictive quantitative structure-activity relationships (QSAR). Specifically, a number of cautions are provided which may circumvent misuse and misunderstanding of the technique.
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Progress in clinical and biological research, 1989
A multivariate analysis of phytotoxicity and measured ecotoxicity data of a set of 30 herbicidal triazines was carried out. Results indicate that it is feasible to design triazines that combine limited ecotoxicity with high herbicidal potency.
M. L. Tosato +6 more
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A multivariate analysis of phytotoxicity and measured ecotoxicity data of a set of 30 herbicidal triazines was carried out. Results indicate that it is feasible to design triazines that combine limited ecotoxicity with high herbicidal potency.
M. L. Tosato +6 more
openaire +2 more sources
Abstracts of publications related to QSAR
Quantitative Structure-Activity Relationships, 1982Ferenc Darvas, Zsuzsanna Darvas
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