Publications by authors named "Mario Lobell"

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Bayer's in silico ADMET platform: a journey of machine learning over the past two decades.
Andreas H Göller, Lara Kuhnke, Floriane Montanari, Anne Bonin, Sebastian Schneckener, Mario Lobell

Drug Discov Today· September 2020

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Discovery of Rogaratinib (BAY 1163877): a pan-FGFR Inhibitor.
Marie-Pierre Collin, Mario Lobell, Walter Hübsch, Dirk Brohm, Hartmut Schirok

ChemMedChem· March 2018

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Novel TIE-2 inhibitor BAY-826 displays in vivo efficacy in experimental syngeneic murine glioma models.
Hannah Schneider, Emese Szabo, Raquel A C Machado, Angela Broggini-Tenzer, Alexander Walter, Mario Lobell

J Neurochem· January 2017

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Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction.
Robert Fraczkiewicz, Mario Lobell, Andreas H Göller, Ursula Krenz, Rolf Schoenneis

J Chem Inf Model· February 2015

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CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory.
Matthias Hennemann, Arno Friedl, Mario Lobell, Jörg Keldenich, Alexander Hillisch

ChemMedChem· April 2009

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Design and synthesis of potent and selective azaindole-based Rho kinase (ROCK) inhibitors.
Hartmut Schirok, Raimund Kast, Santiago Figueroa-Pérez, Samir Bennabi, Mark J Gnoth, Mario Lobell

ChemMedChem· December 2008

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In silico ADMET traffic lights as a tool for the prioritization of HTS hits.
Mario Lobell, Martin Hendrix, Berthold Hinzen, Jörg Keldenich, Heinrich Meier

ChemMedChem· November 2006

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Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits.
Tobias Wunberg, Martin Hendrix, Alexander Hillisch, Mario Lobell, Heinrich Meier

Drug Discov Today· February 2006

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In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values.
Mario Lobell, Vinothini Sivarajah

Mol Divers· August 2004

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Molecular characterization of the principal substrate binding site of the ubiquitous folding catalyst protein disulfide isomerase.
Annamari Pirneskoski, Peter Klappa, Mario Lobell, Richard A Williamson, Lee Byrne

J Biol Chem· March 2004

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Recent advances in the prediction of blood-brain partitioning from molecular structure.
Mario Lobell, László Molnár, György M Keserü

J Pharm Sci· February 2003

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