6 citations · 7 across the 4 of their papers we have counts for
5 papers · 1 filter
A Comparative Study of QSPR Methods on a Unique Multitask PAMPA dataset
Andrs Formanek, Anna Vincze, Richrd Bicsak +3
We present a unique, multitask dataset comprising 143 drug and drug candidate molecules, each evaluated on in vitro, parallel artificial-membrane permeability assays (PAMPA) using…
Enhancing Uncertainty Quantification in Drug Discovery with Censored Regression Labels
Emma Svensson, Hannah Rosa Friesacher, Susanne Winiwarter +3
In the early stages of drug discovery, decisions regarding which experiments to pursue can be influenced by computational models. These decisions are critical due to the time-consu…
GRU-ODE-Bayes: Continuous modeling of sporadically-observed time series
Edward De Brouwer, Jaak Simm, Adam Arany +1
Modeling real-world multidimensional time series can be particularly challenging when these are sporadically observed (i.e., sampling is irregular both in time and across dimension…
SMURFF: a High-Performance Framework for Matrix Factorization
Tom Vander Aa, Imen Chakroun, Thomas J. Ashby +10
Bayesian Matrix Factorization (BMF) is a powerful technique for recommender systems because it produces good results and is relatively robust against overfitting. Yet BMF is more c…
Deep Ensemble Tensor Factorization for Longitudinal Patient Trajectories Classification
Edward De Brouwer, Jaak Simm, Adam Arany +1
We present a generative approach to classify scarcely observed longitudinal patient trajectories. The available time series are represented as tensors and factorized using generati…