Search Results - "KNIME"

ADME prediction with KNIME: A retrospective contribution to the second "Solubility Challenge" by Gabriela Falcón-Cano, Christophe Molina, Miguel Angel Cabrera-Pérez

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KNIME-based Analysis of Off-Target Effect of Drugs Related to The Molecular 2D Fingerprint by Nihayatul Karimah, Gijs Schaftenaar

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ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches by Gabriela Falcón-Cano, Christophe Molina, Miguel Angel Cabrera-Pérez

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Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning Approaches by Gabriela Falcón-Cano, Christophe Molina, Miguel Ángel Cabrera-Pérez

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Development of a cheminformatics platform for selectivity analyses of carbonic anhydrase inhibitors by Giulio Poli, Salvatore Galati, Adriano Martinelli, Claudiu T. Supuran, Tiziano Tuccinardi

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Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs by Barbara Füzi, Jana Gurinova, Henning Hermjakob, Henning Hermjakob, Gerhard F. Ecker, Rahuman Sheriff

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Using Features Extracted From Upper Limb Reaching Tasks to Detect Parkinson’s Disease by Means of Machine Learning Models by Giuseppe Cesarelli, Leandro Donisi, Francesco Amato, Maria Romano, Mario Cesarelli, Giovanni D'Addio, Alfonso M. Ponsiglione, Carlo Ricciardi

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Advancing drug discovery through assay development: a survey of tool compounds within the human solute carrier superfamily by Daniela Digles, Alvaro Ingles-Prieto, Vojtech Dvorak, Tamara A. M. Mocking, Ulrich Goldmann, Andrea Garofoli, Evert J. Homan, Alberto Di Silvio, Lucia Azzollini, Francesca Sassone, Mario Fogazza, Felix Bärenz, Antje Pommereau, Yasmin Zuschlag, Jasper F. Ooms, Jeppe Tranberg-Jensen, Jesper S. Hansen, Josefina Stanka, Hubert J. Sijben, Helena Batoulis, Eckhard Bender, Riccardo Martini, Adriaan P. IJzerman, David B. Sauer, Laura H. Heitman, Vania Manolova, Juergen Reinhardt, Alexander Ehrmann, Philipp Leippe, Gerhard F. Ecker, Kilian V. M. Huber, Thomas Licher, Lia Scarabottolo, Tabea Wiedmer, Giulio Superti-Furga, Giulio Superti-Furga

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Comprehensive Analysis of Chemical Structures That Have Been Tested as CFTR Activating Substances in a Publicly Available Database CandActCFTR by Manuel Manfred Nietert, Manuel Manfred Nietert, Liza Vinhoven, Florian Auer, Sylvia Hafkemeyer, Frauke Stanke, Frauke Stanke

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