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56. A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance

65. 11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015

66. Scientific competency questions as the basis for semantically enriched open pharmacological space development

72. Additional file 3 of Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules

74. Additional file 1 of Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules

81. Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1

82. CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding

88. New Approach Methods (NAMs) Supporting Read-Across : Two Neurotoxicity AOP-based IATA Case Studies

89. New approach methods (NAMs) supporting read-across:Two neurotoxicity AOP-based IATA case studies

97. In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways

99. Vienna LiverTox Workspace—A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies

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