Search Results - "Leahy, David E" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Cross-validation pitfalls when selecting and assessing regression and classification models

Cross-validation pitfalls when selecting and assessing regression and classification models

by Krstajic, Damjan, Buturovic, Ljubomir J, Leahy, David E, Thomas, Simon
Published in Journal of cheminformatics (29.03.2014)

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Journal Article

Integrating in vitro ADMET data through generic physiologically based pharmacokinetic models

Integrating in vitro ADMET data through generic physiologically based pharmacokinetic models

by Leahy, David E
Published in Expert opinion on drug metabolism & toxicology (01.08.2006)

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Journal Article

Automation of decision making in drug design

Automation of decision making in drug design

by Leahy, David E., Sykora, Vladimir
Published in Drug discovery today. Technologies (01.09.2013)

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Journal Article

Chemical Descriptors Library (CDL): A Generic, Open Source Software Library for Chemical Informatics

Chemical Descriptors Library (CDL): A Generic, Open Source Software Library for Chemical Informatics

by Sykora, Vladimir J, Leahy, David E
Published in Journal of Chemical Information and Modeling (01.10.2008)

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Journal Article

Physiologically-based Kinetic Modelling (PBK Modelling): meeting the 3Rs agenda. The report and recommendations of ECVAM Workshop 63

Physiologically-based Kinetic Modelling (PBK Modelling): meeting the 3Rs agenda. The report and recommendations of ECVAM Workshop 63

by Bouvier d'Yvoire, Michel, Prieto, Pilar, Blaauboer, Bas J, Bois, Frederic Y, Boobis, Alan, Brochot, Céline, Coecke, Sandra, Freidig, Andreas, Gundert-Remy, Ursula, Hartung, Thomas, Jacobs, Miriam N, Lavé, Thierry, Leahy, David E, Lennernäs, Hans, Loizou, George D, Meek, Bette, Pease, Camilla, Rowland, Malcolm, Spendiff, Martin, Yang, Jiansong, Zeilmaker, Marco
Published in Alternatives to laboratory animals (01.12.2007)

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Journal Article

Prediction of in vivo tissue distribution from in vitro data. 3. Correlation between in vitro and in vivo tissue distribution of a homologous series of nine 5-n-alkyl-5-ethyl barbituric acids

Prediction of in vivo tissue distribution from in vitro data. 3. Correlation between in vitro and in vivo tissue distribution of a homologous series of nine 5-n-alkyl-5-ethyl barbituric acids

by BALLARD, Peter, LEAHY, David E, ROWLAND, Malcolm
Published in Pharmaceutical research (01.06.2003)

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Journal Article

Progress in simulation modelling for pharmacokinetics

Progress in simulation modelling for pharmacokinetics

by Leahy, David E
Published in Current topics in medicinal chemistry (01.01.2003)

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Journal Article

Prediction of in vivo tissue distribution from in vitro data. 2. Influence of albumin diffusion from tissue pieces during an in vitro incubation on estimated tissue-to-unbound plasma partition coefficients (Kpu)

Prediction of in vivo tissue distribution from in vitro data. 2. Influence of albumin diffusion from tissue pieces during an in vitro incubation on estimated tissue-to-unbound plasma partition coefficients (Kpu)

by BALLARD, Peter, ARUNDEL, Philip A, LEAHY, David E, ROWLAND, Malcolm
Published in Pharmaceutical research (01.06.2003)

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Journal Article

Prediction of in vivo tissue distribution from in vitro data. 1. Experiments with markers of aqueous spaces

Prediction of in vivo tissue distribution from in vitro data. 1. Experiments with markers of aqueous spaces

by BALLARD, P, LEAHY, D. E, ROWLAND, M
Published in Pharmaceutical research (01.06.2000)

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Journal Article

Competitive Workflow: novel software architecture for automating drug design

Competitive Workflow: novel software architecture for automating drug design

by Cartmell, John, Krstajic, Damjan, Leahy, David E
Published in Current opinion in drug discovery & development (01.05.2007)

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Journal Article

Model solvent systems for QSAR. Part 3. An LSER analysis of the ‘critical quartet.’ New light on hydrogen bond strength and directionality

Model solvent systems for QSAR. Part 3. An LSER analysis of the ‘critical quartet.’ New light on hydrogen bond strength and directionality

by Leahy, David E., Morris, Jeffrey J., Taylor, Peter J., Wait, Alan R.
Published in J. Chem. Soc., Perkin Trans. 2 (1992)

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Journal Article

Model solvent systems for QSAR. Part 2. Fragment values (‘f-values’) for the ‘critical quartet’

Model solvent systems for QSAR. Part 2. Fragment values (‘f-values’) for the ‘critical quartet’

by Leahy, David E., Morris, Jeffrey J., Taylor, Peter J., Wait, Alan R.
Published in J. Chem. Soc., Perkin Trans. 2 (1992)

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Journal Article

Drug discovery information integration: virtual humans for pharmacokinetics

Drug discovery information integration: virtual humans for pharmacokinetics

by Leahy, David E.
Published in Drug Discovery Today: Biosilico (01.03.2004)

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Book Review Journal Article

Prediction of in vivo tissue distribution from in vitro data. 2. Correlation between in vitro and in vivo tissue distribution of a homologous series of nine 5-n-alkyl-5-ethyl barbituric acids

Prediction of in vivo tissue distribution from in vitro data. 2. Correlation between in vitro and in vivo tissue distribution of a homologous series of nine 5-n-alkyl-5-ethyl barbituric acids

by Ballard, Peter, Leahy, David E, Rowland, Malcolm
Published in Pharmaceutical research (01.06.2003)

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Journal Article

The preparation and characterization of some N-chloro-2- and N-chloro-4-pyridones

The preparation and characterization of some N-chloro-2- and N-chloro-4-pyridones

by Katritzky, Alan R, Khan, Ghulam R, Leahy, David E, De Rosa, Michael
Published in Journal of organic chemistry (01.12.1984)

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Journal Article

Outsourcing discovery ADME screening

Outsourcing discovery ADME screening

by Leahy, David E
Published in Pharmaceutical technology Europe (01.05.2003)

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Journal Article

Pyrylium-mediated transformations of natural products. Part 4. Reactions of water-soluble pyrylium salts with water and with amines

Pyrylium-mediated transformations of natural products. Part 4. Reactions of water-soluble pyrylium salts with water and with amines

by Katritzky, Alan R., Leahy, David E.
Published in Journal of the Chemical Society, Perkin Transactions 2 (1984)

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Journal Article

Kinetics and mechanism of the pyrylium to pyridinium cation transformation in dichloromethane

Kinetics and mechanism of the pyrylium to pyridinium cation transformation in dichloromethane

by KATRITZKY, A. R, LEAHY, D. E
Published in Journal of the Chemical Society, Perkin Transactions 2 (1985)

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Journal Article

Binary classification models with "Uncertain" predictions

Binary classification models with "Uncertain" predictions

by Krstajic, Damjan, Buturovic, Ljubomir, Thomas, Simon, Leahy, David E
Year of Publication 27.11.2017

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Journal Article

Solution and gas-phase basicities of pyridines with bulky α-substituents

Solution and gas-phase basicities of pyridines with bulky α-substituents

by Katritzky, Alan R., Leahy, David E., Maquestiau, André, Flammang, Robert
Published in J. Chem. Soc., Perkin Trans. 2 (1983)

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Journal Article