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Current Pharmaceutical Design|February 10, 2012
The challenges involved in modeling toxicity data in silico: a reviewM Paul Gleeson, Sandeep Modi, Andreas Bender, et al.Biochemistry|February 8, 2017
Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1Madeline E Kavanagh, Jude Chenge, Azedine Zoufir, et al.Chemical Biology & Drug Design|February 8, 2011
Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic librariesFabian López-Vallejo, Adel Nefzi, Andreas Bender, et al.Bioinformatics (Oxford, England)|September 10, 2015
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panelIsidro Cortés-Ciriano, Gerard J P van Westen, Guillaume Bouvier, et al.Toxicology Research|August 10, 2018
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS dataChad H G Allen, Alexios Koutsoukas, Isidro Cortés-Ciriano, et al.Journal of Chemical Information and Modeling|July 9, 2013
In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt windowAlexios Koutsoukas, Robert Lowe, Yasaman Kalantarmotamedi, et al.American Journal of Human Genetics|January 9, 2008
Nature of mitochondrial DNA deletions in substantia nigra neuronsAmy K Reeve, Kim J Krishnan, Joanna L Elson, et al.Journal of Medicinal Chemistry|April 7, 2017
Prediction of Antibiotic Interactions Using Descriptors Derived from Molecular StructureDaniel J Mason, Ian Stott, Stephanie Ashenden, et al.Chemmedchem|May 5, 2007
Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structureAndreas Bender, Josef Scheiber, Meir Glick, et al.Journal of Molecular Graphics & Modelling|March 31, 2007
Flexible 3D pharmacophores as descriptors of dynamic biological spaceJames H Nettles, Jeremy L Jenkins, Chris Williams, et al.Pageof 48