Arany, Adam
- GRU-ODE-Bayes: Continuous modeling of sporadically-observed time series
2019/05/29 by Edward De Brouwer, Jaak Simm, De Brouwer, Edward +5 · 40 citations
Computer Science · #Machine Learning in Healthcare #Time Series Analysis and Forecasting #Gaussian Processes and Bayesian Inference
- Atom-Level Optical Chemical Structure Recognition with Limited Supervision
2024/04/02 by Martijn Oldenhof, Oldenhof, Martijn, Edward De Brouwer +5 · 1 citation
Chemical Engineering · Chemistry · #Analytical Chemistry and Chromatography #Analytical Chemistry and Sensors #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Various Chemistry Research Topics
- Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models
2024/07/19 by Hannah Rosa Friesacher, Ola Engkvist, Friesacher, Hannah Rosa +7 · 1 citation
Computer Science · #Computational Drug Discovery Methods
- Temporal Distribution Shift in Real-World Pharmaceutical Data: Implications for Uncertainty Quantification in QSAR Models
2025/02/06 by Hannah Rosa Friesacher, Emma Svensson, Friesacher, Hannah Rosa +9 · 1 citation
Chemistry · Computer Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Spectroscopy and Chemometric Analyses