Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Authors

Peter Hartog

3 results in Authors: Peter Hartog

Theoretical and Computational Chemistry

openOCHEM consensus model wins Kaggle First EUOS/SLAS Joint Compound Solubility Challenge

Andrea Kopp, Peter Hartog, Martin Šícho, Guillaume Godin, Igor Tetko

Version 1 posted 23 May 2023

342

Downloads

Theoretical and Computational Chemistry

Investigations into the efficiency of computer-aided synthesis planning

Peter B.R. Hartog, Annie M. Westerlund, Igor V. Tetko, Samuel Genheden

Version 1 posted 14 October 2024

221

Downloads

Theoretical and Computational Chemistry

Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

Peter B. R. Hartog, Fabian Krüger, Samuel Genheden, Igor V. Tetko

Version 1 posted 03 January 2024

374

Downloads