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Browsing Recerca: articles, congressos, llibres by Subject "QSAR"

Browsing Recerca: articles, congressos, llibres by Subject "QSAR"

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  • Jabeen, Ishrat; Wetwitayaklung, Penpun; Chiba, Peter; Pastor Maeso, Manuel; Ecker, Gerhard F. (SpringerOpen, 2013)
    The ATP-binding cassette efflux transporter P-glycoprotein (P-gp) is notorious for contributing to multidrug resistance in antitumor therapy. Due to its expression in many blood-organ barriers, it also influences the ...
  • March-Vila, Eric; Ferretti, Giacomo; Terricabras, Emma; Ardao, Inés; Brea, José Manuel; Varela, María José; Arana, Álvaro; Rubiolo, Juan Andrés; Sanz, Ferran; Loza, María I.; Sánchez, Laura; Alonso, Héctor; Pastor Maeso, Manuel (Springer, 2023)
    There is a widely recognized need to reduce human activity's impact on the environment. Many industries of the leather and textile sector (LTI), being aware of producing a significant amount of residues (Keßler et al. 2021; ...
  • Cases, Montserrat; Briggs, Katharine; Steger-Hartmann, Thomas; Pognan, François; Marc, Philippe; Kleinöder, Thomas; Schwab, Christof H.; Pastor Maeso, Manuel; Wichard, Jörg; Sanz, Ferran (MDPI, 2014)
    The high-quality in vivo preclinical safety data produced by the pharmaceutical industry during drug development, which follows numerous strict guidelines, are mostly not available in the public domain. These safety data ...
  • Pastor Maeso, Manuel; Gómez-Tamayo, José C.; Sanz, Ferran (Springer, 2021)
    This article describes Flame, an open source software for building predictive models and supporting their use in production environments. Flame is a web application with a web-based graphic interface, which can be used as ...
  • Munteanu, Cristian R.; Aguiar Pulido, Vanessa; Freire, Ana; Martínez Romero, Marcos; Porto Pazos, Ana B.; Pereira, Javier; Dorado, Julian (Bentham Science Publishers, 2015)
    The complex information encoded into the element connectivity of a system gives rise to the possibility of graphical processing of divisible systems by using the Graph theory. An application in this sense is the quantitative ...
  • Briggs, Katharine; Cases, Montserrat; Heard, David J.; Pastor Maeso, Manuel; Pognan, François; Sanz, Ferran; Schwab, Christof H.; Steger-Hartmann, Thomas; Sutter, Andreas; Watson, David K.; Wichard, Jörg (MDPI, 2012)
    There is a widespread awareness that the wealth of preclinical toxicity data that the pharmaceutical industry has generated in recent decades is not exploited as efficiently as it could be. Enhanced data availability for ...
  • Cronin, Mark T. D.; Belfield, Samuel J.; Briggs, Katharine; Enoch, Steven J.; Firman, James W.; Frericks, Markus; Garrard, Clare; Maccallum, Peter H.; Madden, Judith C.; Pastor Maeso, Manuel; Sanz, Ferran; Soininen, Inari; Sousoni, Despoina (Elsevier, 2023)
    In silico predictive models for toxicology include quantitative structure-activity relationship (QSAR) and physiologically based kinetic (PBK) approaches to predict physico-chemical and ADME properties, toxicological effects ...
  • Rodríguez-Belenguer, Pablo; March-Vila, Eric; Pastor Maeso, Manuel; Mangas Sanjuan, Victor; Soria Olivas, Emilio (Elsevier, 2023)
    New Approach Methodologies (NAMs) have ushered in a new era in the field of toxicology, aiming to replace animal testing. However, despite these advancements, they are not exempt from the inherent complexities associated ...

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