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Predictive toxicology

The Insecticide Imidacloprid Causes Mortality of the Freshwater Amphipod Gammarus pulex by Interfering with Feeding Behavior

Anna-Maija Nyman, Anita Hintermeister, Kristin Schirmer, Roman Ashauer

Pharmacometabolomic Approach to Predict QT Prolongation in Guinea Pigs

Jeonghyeon Park, Keumhan Noh, [ ... ], Young-Ran Yoon

Identification, Design and Bio-Evaluation of Novel Hsp90 Inhibitors by Ligand-Based Virtual Screening

JianMin Jia, XiaoLi Xu, [ ... ], QiDong You

Predicting Chemical Toxicity Effects Based on Chemical-Chemical Interactions

Lei Chen, Jing Lu, [ ... ], Yu-Dong Cai

A Computational Model to Predict Rat Ovarian Steroid Secretion from In Vitro Experiments with Endocrine Disruptors

Nadia Quignot, Frédéric Y. Bois

Structural Basis of the Selective Block of Kv1.2 by Maurotoxin from Computer Simulations

Rong Chen, Shin-Ho Chung

Towards the Improved Discovery and Design of Functional Peptides: Common Features of Diverse Classes Permit Generalized Prediction of Bioactivity

Catherine Mooney, Niall J. Haslam, Gianluca Pollastri, Denis C. Shields

Molecular Control of TiO₂-NPs Toxicity Formation at Predicted Environmental Relevant Concentrations by Mn-SODs Proteins

Yinxia Li, Wei Wang, [ ... ], Dayong Wang

Additive Mixture Effects of Estrogenic Chemicals in Human Cell-Based Assays Can Be Influenced by Inclusion of Chemicals with Differing Effect Profiles

Richard Mark Evans, Martin Scholze, Andreas Kortenkamp

Prediction of Promiscuous P-Glycoprotein Inhibition Using a Novel Machine Learning Scheme

Max K. Leong, Hong-Bin Chen, Yu-Hsuan Shih

Modeling Physiological Processes That Relate Toxicant Exposure and Bacterial Population Dynamics

Tin Klanjscek, Roger M. Nisbet, John H. Priester, Patricia A. Holden

Partner-Aware Prediction of Interacting Residues in Protein-Protein Complexes from Sequence Data

Shandar Ahmad, Kenji Mizuguchi

Predictive Power Estimation Algorithm (PPEA) - A New Algorithm to Reduce Overfitting for Genomic Biomarker Discovery

Jiangang Liu, Robert A. Jolly, [ ... ], Tao Wei

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