1 citations · 1 across the 3 of their papers we have counts for
3 papers
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…
Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models
Hannah Rosa Friesacher, Ola Engkvist, Lewis Mervin +2
In the drug discovery process, where experiments can be costly and time-consuming, computational models that predict drug-target interactions are valuable tools to accelerate the d…
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…