Papers matching “prediction model evaluation” 69
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Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
3citations -
Systematic Evaluation of High-Throughput PBK Modelling Strategies for the Prediction of Intravenous and Oral Pharmacokinetics in Humans2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
René Geci, Domenico Gadaleta, Marina García de Lomana, Rita Ortega-Vallbona, Erika Colombo, Eva Serrano‐Candelas, +3 more
0citations -
Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction2022 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access
Alan Kai Hassen, Paula Torren-Peraire, Samuel Genheden, Jonas Verhoeven, Mike Preuß, Igor V. Tetko
6citations -
Using Knowledge Graphs for Performance Prediction of Modular Optimization Algorithms2023 arXiv (Cornell University) preprint Computer Science Metaheuristic Optimization Algorithms Research Open access
Ana Kostovska, Diederick Vermetten, Sašo Džeroski, Panče Panov, Tome Eftimov, Carola Doerr
3citations -
A Hybrid Modeling Framework for Generalizable and Interpretable Predictions of ICU Mortality: Leveraging ICD Codes in a Multi-Hospital Study of Mechanically Ventilated Influenza Patients
Moein E. Samadi, Jorge Guzman-Maldonado, Kateryna Nikulina, Hedieh Mirzaieazar, Konstantin Sharafutdinov, Sebastian Johannes Fritsch, +1 more
2citations