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Journal of Chemical Information and Modeling|January 28, 2014
Choosing feature selection and learning algorithms in QSARMartin Eklund, Ulf Norinder, Scott Boyer, et al.Journal of Cheminformatics|June 29, 2024
CPSign: conformal prediction for cheminformatics modelingStaffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, et al.BMC Bioinformatics|July 3, 2010
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and BioclipseLars Carlsson, Ola Spjuth, Samuel Adams, et al.Journal of Chemical Information and Modeling|February 7, 2019
Accurate Hit Estimation for Iterative Screening Using Venn-ABERS PredictorsRuben Buendia, Thierry Kogej, Ola Engkvist, et al.Journal of Chemical Information and Modeling|July 13, 2013
Localized heuristic inverse quantitative structure activity relationship with bulk descriptors using numerical gradientsJonna Stålring, Pedro R Almeida, Lars Carlsson, et al.Idrugs : the Investigational Drugs Journal|March 9, 2006
Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADMERobert C Glem, Andreas Bender, Catrin H Arnby, et al.Journal of Chemical Information and Modeling|February 17, 2007
Reaction site mapping of xenobiotic biotransformationsScott Boyer, Catrin Hasselgren Arnby, Lars Carlsson, et al.Toxicological Sciences : an Official Journal of the Society of Toxicology|April 29, 2017
Deconvoluting Kinase Inhibitor Induced CardiotoxicitySarah D Lamore, Ernst Ahlberg, Scott Boyer, et al.Journal of Clinical Pharmacology|December 27, 2016
Evidence for the hERG Liability of Antihistamines, Antipsychotics, and Anti-Infective Agents: A Systematic Literature Review From the ARITMO ProjectLorna Hazell, Emanuel Raschi, Fabrizio De Ponti, et al.Biomolecules|August 31, 2018
Predicting Aromatic Amine Mutagenicity with Confidence: A Case Study Using Conformal PredictionUlf Norinder, Glenn Myatt, Ernst AhlbergPageof 15