Search

Categories

Analytical Chemistry

(3)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(2)

Last 6 months

(2)

Keywords

Retention Time Prediction

Authors

3 results in Keywords: Retention Time Prediction

Analytical Chemistry

RepoRT: A comprehensive repository for small molecule retention times

Fleming Kretschmer, Eva-Maria Harrieder, Martin Hoffmann, Sebastian Böcker, Michael Witting

Version 2 posted 06 July 2023

1,006

Downloads

1

Citations

Analytical Chemistry

Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times

Fleming Kretschmer, Eva-Maria Harrieder, Michael Witting, Sebastian Böcker

Version 1 posted 23 December 2024

389

Downloads

1

Citations

Analytical Chemistry

Purification of Pharmaceuticals via Retention Time Prediction: Leveraging Graph Invariant Networks, Limited Data, and Transfer Learning

Armen G. Beck, Rojan Shrestha, Jun Wang, Jonathan Fine, Erik L. Regalado, Kanaka Hettiarachchi, Katharine B. Williams, Edward C. Sherer, Pankaj Aggarwal

Version 1 posted 23 January 2025

361

Downloads