Jonathan Alvarsson

Comparing Lipinskis Rule of 5 and Machine Learning Based Prediction of Fraction Absorbed for Assessing Oral Absorption in Humans

This paper compares Lipinski's Rule of 5 and machine learning predictions of fraction absorbed to assess oral absorption in humans, finding machine learning models more accurate.

CPSign - Conformal Prediction for Cheminformatics Modeling

CPSign provides a conformal prediction framework for cheminformatics, offering robust predictive performance with efficient runtime and lower hardware requirements compared to neural networks.

SciPipe - A workflow library for agile development of complex and dynamic bioinformatics pipelines

SciPipe is a workflow library for managing complex and dynamic pipelines in bioinformatics, supporting machine learning tasks with features like branching and dynamic scheduling.