Search

Categories

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Last 12 months

(1)

Last 6 months

(1)

Keywords

InChI

Authors

3 results in Keywords: InChI

Theoretical and Computational Chemistry

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

Devendra K. Dhaked, Wolf Ihlenfeldt, Hitesh Patel, Marc Nicklaus

Version 1 posted 29 November 2019

1,007

Downloads

Theoretical and Computational Chemistry

Making the InChI FAIR and sustainable by moving to open-source on GitHub

Sonja Herres-Pawlis, Gerd Blanke, Jan Brammer, Djordje Baljozovic, Nauman Khan, Frank Lange, Felix Bänsch, Ulrich Schatzschneider, Richard Hartshorn, Clare Tovee

Version 2 posted 31 July 2024

174

Downloads

Theoretical and Computational Chemistry

Translating the Molecules: Adapting Neural Machine Translation to Predict IUPAC Names from a Chemical Identifier

Jennifer Handsel, Brian Matthews, Nicola Knight, Simon Coles

Version 1 posted 08 March 2021

567

Downloads

1

Citations