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Scientific Reports|November 18, 2021
Spontaneous eye blinking as a diagnostic marker in prolonged disorders of consciousnessAlfonso Magliacano, Martin Rosenfelder, Nina Hieber, et al.Future Medicinal Chemistry|June 17, 2021
Computational drug repositioning for ischemic stroke: neuroprotective drug discoveryYunong Li, Jingbo Yang, Yan Zhang, et al.Journal of Chemical Information and Modeling|August 21, 2018
Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain ProteinsKathryn A Giblin, Samantha J Hughes, Helen Boyd, et al.Chemmedchem|March 30, 2010
Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databasesMunikumar R Doddareddy, Elisabeth C Klaasse, Shagufta, et al.Plos Neglected Tropical Diseases|August 11, 2020
Modelling geospatial distributions of the triatomine vectors of Trypanosoma cruzi in Latin AmericaAndreas Bender, Andre Python, Steve W Lindsay, et al.Molecular Pharmaceutics|April 25, 2023
Prediction of Compound Plasma Concentration-Time Profiles in Mice Using Random ForestKoichi Handa, Peter Wright, Saki Yoshimura, et al.Journal of Chemical Information and Modeling|September 10, 2024
Prediction of Inhibitory Activity against the MATE1 Transporter via Combined Fingerprint- and Physics-Based Machine Learning ModelsKoichi Handa, Shunta Sasaki, Satoshi Asano, et al.Journal of Cheminformatics|June 2, 2019
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicityChad H G Allen, Lewis H Mervin, Samar Y Mahmoud, et al.Frontiers in Pharmacology|June 27, 2018
Extending in Silico Protein Target Prediction Models to Include Functional EffectsLewis H Mervin, Avid M Afzal, Lars Brive, et al.Journal of Chemical Information and Modeling|August 4, 2016
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput ScreeningShardul Paricharak, Adriaan P IJzerman, Jeremy L Jenkins, et al.Pageof 48