Results 251 to 260 of about 8,236,922 (283)
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Structural alerts to genotoxicity: the interaction of human and artificial intelligence
Mutagenesis, 1990The assignments of 'structural alerts' by Ashby and associates as predictors of genotoxic carcinogenicity were used as the entries for CASE, an artificial intelligence-based structure-activity relational method. CASE, using this human intelligence-based information, was able to derive structural determinants that duplicate the informational content of ...
H S, Rosenkranz, G, Klopman
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Assessment of Methods To Define the Applicability Domain of Structural Alert Models
Journal of Chemical Information and Modeling, 2011It is important that in silico models for use in chemical safety legislation, such as REACH, are compliant with the OECD Principles for the Validation of (Q)SARs. Structural alert models can be useful under these circumstances but lack an adequately defined applicability domain.
Claire M. Ellison +5 more
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ChemInform Abstract: Alarms about Structural Alerts
ChemInform, 2016AbstractReview: 73 refs.
Alexander Tropsha, null et al.
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Atmospheric Environment, 2002
The seasonal snowpackat Alert (North coast of Ellesmere Island, 82 129.94 0 N, 62120.55 0 W) was studied in February and April 2000, on land and on sea ice. The stratigraphy was studied, and the density and specific surface area (SSA) of each snow layer were measured. SSA was measured by CH4 adsorption at 77 K using a volumetric method.
Florent Dominé +2 more
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The seasonal snowpackat Alert (North coast of Ellesmere Island, 82 129.94 0 N, 62120.55 0 W) was studied in February and April 2000, on land and on sea ice. The stratigraphy was studied, and the density and specific surface area (SSA) of each snow layer were measured. SSA was measured by CH4 adsorption at 77 K using a volumetric method.
Florent Dominé +2 more
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Genotoxic Impurities: From Structural Alerts to Qualification
Organic Process Research & Development, 2010The presence of an in cerebro structural alert in a potential or actual impurity, most likely arising as a byproduct or carried-over reagent or starting material, in a drug substance or drug product is merely an indication that the compound may be a DNA-reactive genotoxin.
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Emerging Patterns as Structural Alerts for Computational Toxicology
2012Thanks to significant advances on both the algorithmic and the practical sides, mining graph data has turned into a key domain of data mining. Various domains use graphs to model their data and graph patterns have widely demonstrated their potential, especially in the field of chemoinformatics where chemical structures are commonly modeled as graphs ...
Cuissart, Bertrand +4 more
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Paper alert: Structural biology
Current Opinion in Structural Biology, 2001Máire Convery +18 more
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The sulfonamide group as a structural alert: A distorted story?
Current opinion in drug discovery & development, 2008The sulfonamide group is widely used in medicinal chemistry and appears in many marketed drugs in a variety of forms. One class of drugs that contain this group has been termed the 'sulfonamide antibacterials'. These compounds are inhibitors of tetrahydropteroic acid synthetase.
Dennis A, Smith, Rhys M, Jones
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