Category Archives : News & Articles

Call for papers – Pure & Applied Chemistry – Research Data, Big Data and Chemistry

The International Union of Pure and Applied Chemistry (IUPAC) held a symposium on Research Data, Big Data, and Chemistry at the 2017 World Chemistry Congress in São Paulo. The Union published a special issue of Chemistry International (CI) to accompany the symposium ( We have been asked to develop a special issue on a similar topic for Pure and Applied Chemistry (PAC), the scientific and technical journal of the Union. The CI issue focused on the historical context around research data in chemistry, and also looked at current issues and advocacy around research data. In the PAC issue, we also seek to include more specific examples of research data sharing, successes of big data analyses in chemistry and related areas, ethical considerations in applications of big data technologies in the sciences, as well as education and outreach. The target article length is 8-15 published pages, approximately 4000-7500 words. We aim to receive manuscripts before the end of the year, for publication in the first half to 2018. PAC offers ahead-of-print publication, so articles will be posted as accepted. In addition, PAC offers hybrid Open Access options for authors who desire immediate OA. Authors are also allowed to self-archive the final published manuscript 12 months after publication.

We would welcome your submission to this special issue. If you have any questions, please let us know. We can provide additional details, including instructions on submission. All manuscripts will be subject to the usual PAC peer review process. Also, if you have any colleagues who might be interested in submitting a publication in this area, please let us know.

Thanks for your interest,

Leah McEwen, Cornell University
David Martinsen, David Martinsen Consulting

Comprehensive curation and analysis of fungal biosynthetic gene clusters of published natural products


Yong Fuga Li, Kathleen J.S. Tsai, Colin J.B. Harvey, James Jian Li, Beatrice E. Ary, Erin E. Berlew, Brenna L. Boehman, David M. Findley, Alexandra G. Friant, Christopher A. Gardner, Michael P. Gould, Jae H. Ha, Brenna K. Lilley, Emily L. McKinstry, Saadia Nawal, Robert C. Parry, Kristina W. Rothchild, Samantha D. Silbert, Michael D. Tentilucci, Alana M. Thurston, Rebecca B. Wai, Yongjin Yoon, Raeka S. Aiyar, Marnix H. Medema, Maureen E. Hillenmeyer and Louise K. Charkoudian.
Science Direct. 2016 Published online 22 January 2016.


The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases

Ron Caspi, Richard Billington, Luciana Ferrer, Hartmut Foerster, Carol A. Fulcher, Ingrid M. Keseler, Anamika Kothari, Markus Krummenacker, Mario Latendresse, Lukas A. Mueller, Quang Ong, Suzanne Paley, Pallavi Subhraveti, Daniel S. Weave and Peter D. Karp.
Nucleic Acids Research. 2015 Published online 2 November 2015.

The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands

Christopher Southan, Joanna L. Sharman, Helen E. Benson, Elena Faccenda, Adam J. Pawson, Stephen P. H. Alexander, O. Peter Buneman, Anthony P. Davenport, John C. McGrath, John A. Peters, Michael Spedding, William A. Catterall, Doriano Fabbro and Jamie A. Davies.
Nucleic Acids Research. 2015 Published online 12 October 2015.

The IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligands

Adam J. Pawson, Joanna L. Sharman, Helen E. Benson, Elena Faccenda, Stephen P.H. Alexander, Peter O. Buneman, Anthony P. Davenport, John C. McGrath, John A. Peters, Christopher Southan, Michael Spedding, Wenyuan Yu, Anthony J. Harmar
Oxford Journals. 2013, published online on 14 November 2013. Read the article here .