eTOC Alert ‘Pure and Applied Chemistry’ – June 2022

A new issue of Pure and Applied Chemistry is now available on De Gruyter Online.

Please click on the following links to view the articles:

Pure and Applied Chemistry Volume 94, Issue 6 

August 4, 2022 Page range: i-iii

Cheminformatics: data and standards – a special topic issue


Cheminformatics: data and standards a Pure and Applied Chemistry special issue 601
Vincent F. Scalfani

Invited Papers

Philip Strömert, Johannes Hunold, André Castro, Steffen Neumann and Oliver Koepler
Ontologies4Chem: the landscape of ontologies in chemistry 605

Robert M. Hanson, Damien Jeannerat, Mark Archibald, Ian J. Bruno, Stuart J. Chalk, Antony N. Davies, Robert J. Lancashire, Jeffrey Lang and Henry S. Rzepa
IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) – guiding principles 623

Jeffrey M. Ting and Corinne E. Lipscomb
Launching a materials informatics initiative for industrial applications in materials science, chemistry, and engineering 637

Jonathan M. Goodman, Gerd Blanke and Hans Kraut
Analysing a billion reactions with the RInChI 643

Gunther Schadow, Yulia V. Borodina, Victorien Delannée, Wolf-Dietrich Ihlenfeldt, Alexander G. Godfrey and Marc C. Nicklaus
Reaction SPL – extension of a public document markup standard to chemical reactions 657

Christopher J. Swain, Jeremy G. Frey and Jonathan M. Goodman
RSC CICAG Open Chemical Science meeting: integrating chemical data from two symposia and a series of workshops 677

Jarosław Tomczak, Elena Herzog, Markus Fischer, Juergen Swienty-Busch, Frederik van den Broek, Gabrielle Whittick, Michael Kappler, Brian Jones and Gerd Blanke
UDM (Unified Data Model) for chemical reactions – past, present and future 687

Antony N. Davies, Robert M. Hanson, Peter Lampen and Robert J. Lancashire
An overview of the JCAMP-DX format 705

David Rauh, Claudia Blankenburg, Tillmann G. Fischer, Nicole Jung, Stefan Kuhn, Ulrich Schatzschneider, Tobias Schulze and Steffen Neumann
Data format standards in analytical chemistry 725

Michael A. Kappler, Christopher T. Lowden and J. Chris Culberson
BioChemUDM: a unified data model for compounds and assays 737


> ; keyword: Cheminformatics

Comments are closed.