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Prediction of cytochrome P450 inhibition by different approaches ... File Format: PDF/Adobe Acrobat - View as HTML Prediction of cytochrome P450 inhibition by different approaches of QSAR modelling. Veronique Hamon. 1. , Dragos Horvath. 2. , Cédric Gaudin ...
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CHEMICAL AND BIOLOGICAL STABILITY OF A CLASS OF CARBAMATES ... File Format: PDF/Adobe Acrobat - View as HTML conjugated with the carbamate group gave unclear relationships with inhibitor potency. On the other hand, variation in carbamate stability could account for ...
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Development of Fast, Interpretable 2D pharmacophore Models for ... File Format: PDF/Adobe Acrobat - View as HTML models predicting either hERG or NaV1.5 activity using the TreeNet algorithm. This ... hERG Activity. Pred. Global QSAR. Global Pharmacophore ...
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The Quantitative Structure-Retention Relationship (QSRR) analysis ... File Format: PDF/Adobe Acrobat - View as HTML Here the quantitative structure-retention relationship (QSRR) study of the centrally acting antihypertensives was performed in order to select molecular ...
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Substructure-based and Property-based File Format: PDF/Adobe Acrobat - View as HTML Are Log P Calculators Accurate? Benchmarking on 96000 Compounds. Igor V. Tetko,. 1. Gennadiy I. Poda,. 2. Claude Ostermann,. 3. Raimund Mannhold ...
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Structure Optimization of Isatin Derivatives as potent, selective ... File Format: PDF/Adobe Acrobat - View as HTML developing potent non-toxic anticancer agents we thought worthwhile optimizing the pharmacophore containing isatin for selective anticancer agents. ...
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Structure Optimization of Isatin Derivatives as potent, selective ... File Format: PDF/Adobe Acrobat - View as HTML developing potent non-toxic anticancer agents we thought worthwhile optimizing the pharmacophore containing isatin for selective anticancer agents. ...
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B. Woody Sherman Richard A. Friesner File Format: PDF/Adobe Acrobat - View as HTML Richard A. Friesner. Department of Chemistry, Columbia University, 3000 Broadway, Mail Code 3110, New York, NY 10027. VALIDATION AND RESULTS ...
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qsar2008.org - Registration and abstract/presentations Aug 29, 2008 ... Fioni , Alessandro ; Università degli Studi di Parma, Italy Goodarzi, Mohammad; Azad University, Iran Koukoulitsa, Catherine; National ...
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Last name First name Abstract Title 1 Ahlberg Helgee Ernst A ... File Format: PDF/Adobe Acrobat - View as HTML First name. Abstract Title. 1. Ahlberg Helgee. Ernst. A Method for Automated Molecular Optimization. Applied to Ames Mutagenicity Data ...
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