Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites

por O'Hagan, Steve, Kell, Douglas B.
Publicado 2015

The apparent permeabilities of Caco-2 cells to marketed drugs: magnitude, and independence from both biophysical properties and endogenite similarities

por O’Hagan, Steve, Kell, Douglas B.
Publicado 2015

MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites

por O'Hagan, Steve, Kell, Douglas B.
Publicado 2016

Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures

por O’Hagan, Steve, Kell, Douglas B.
Publicado 2017

Generation of a Small Library of Natural Products Designed to Cover Chemical Space Inexpensively

por O’Hagan, Steve, Kell, Douglas B.
Publicado 2019

Structural Similarities between Some Common Fluorophores Used in Biology, Marketed Drugs, Endogenous Metabolites, and Natural Products

por O’Hagan, Steve, Kell, Douglas B.
Publicado 2020

Exploiting Genomic Knowledge in Optimising Molecular Breeding Programmes: Algorithms from Evolutionary Computing

por O'Hagan, Steve, Knowles, Joshua, Kell, Douglas B.
Publicado 2012

A ‘rule of 0.5’ for the metabolite-likeness of approved pharmaceutical drugs

por O′Hagan, Steve, Swainston, Neil, Handl, Julia, Kell, Douglas B.
Publicado 2014

Enhancing Drug Efficacy and Therapeutic Index through Cheminformatics-Based Selection of Small Molecule Binary Weapons That Improve Transporter-Mediated Targeting: A Cytotoxicity S...

por Grixti, Justine M., O'Hagan, Steve, Day, Philip J., Kell, Douglas B.
Publicado 2017

A palette of fluorophores that are differentially accumulated by wild-type and mutant strains of Escherichia coli: surrogate ligands for profiling bacterial membrane transporters

por Salcedo-Sora, Jesus Enrique, Jindal, Srijan, O'Hagan, Steve, Kell, Douglas B.
Publicado 2021

From genomes to systems

por Ellis, David I, O'Hagan, Steve, Dunn, Warwick B, Brown, Marie, Vaidyanathan, Seetharaman
Publicado 2004

VAE-Sim: A Novel Molecular Similarity Measure Based on a Variational Autoencoder

por Samanta, Soumitra, O’Hagan, Steve, Swainston, Neil, Roberts, Timothy J., Kell, Douglas B.
Publicado 2020

GeneGini: Assessment via the Gini Coefficient of Reference “Housekeeping” Genes and Diverse Human Transporter Expression Profiles

por O'Hagan, Steve, Wright Muelas, Marina, Day, Philip J., Lundberg, Emma, Kell, Douglas B.
Publicado 2018

The role and robustness of the Gini coefficient as an unbiased tool for the selection of Gini genes for normalising expression profiling data

por Wright Muelas, Marina, Mughal, Farah, O’Hagan, Steve, Day, Philip J., Kell, Douglas B.
Publicado 2019

An untargeted metabolomics strategy to measure differences in metabolite uptake and excretion by mammalian cell lines

por Wright Muelas, Marina, Roberts, Ivayla, Mughal, Farah, O’Hagan, Steve, Day, Philip J., Kell, Douglas B.
Publicado 2020

COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

por Salek, Reza M., Neumann, Steffen, Schober, Daniel, Hummel, Jan, Billiau, Kenny, Kopka, Joachim, Correa, Elon, Reijmers, Theo, Rosato, Antonio, Tenori, Leonardo, Turano, Paola, Marin, Silvia, Deborde, Catherine, Jacob, Daniel, Rolin, Dominique, Dartigues, Benjamin, Conesa, Pablo, Haug, Kenneth, Rocca-Serra, Philippe, O’Hagan, Steve, Hao, Jie, van Vliet, Michael, Sysi-Aho, Marko, Ludwig, Christian, Bouwman, Jildau, Cascante, Marta, Ebbels, Timothy, Griffin, Julian L., Moing, Annick, Nikolski, Macha, Oresic, Matej, Sansone, Susanna-Assunta, Viant, Mark R., Goodacre, Royston, Günther, Ulrich L., Hankemeier, Thomas, Luchinat, Claudio, Walther, Dirk, Steinbeck, Christoph
Publicado 2015

Molecular phenotyping of a UK population: defining the human serum metabolome

por Dunn, Warwick B., Lin, Wanchang, Broadhurst, David, Begley, Paul, Brown, Marie, Zelena, Eva, Vaughan, Andrew A., Halsall, Antony, Harding, Nadine, Knowles, Joshua D., Francis-McIntyre, Sue, Tseng, Andy, Ellis, David I., O’Hagan, Steve, Aarons, Gill, Benjamin, Boben, Chew-Graham, Stephen, Moseley, Carly, Potter, Paula, Winder, Catherine L., Potts, Catherine, Thornton, Paula, McWhirter, Catriona, Zubair, Mohammed, Pan, Martin, Burns, Alistair, Cruickshank, J. Kennedy, Jayson, Gordon C., Purandare, Nitin, Wu, Frederick C. W., Finn, Joe D., Haselden, John N., Nicholls, Andrew W., Wilson, Ian D., Goodacre, Royston, Kell, Douglas B.
Publicado 2014