Abstract: MACE is an open access collection of electron impact (EI) mass spectra for coupled gas chromatography-mass spectrometry (GC/MS) that serves as an add-on database, comprising curated spectra not present in widely available commercial mass spectral libraries, such as the NIST or WILEY databases. The spectra are stored as text files that allow easy integration into individual GC/MS systems. The article describes the concept of MACE, the data structure, how to contribute, and its usage. MACE is designed as a community effort and will require contributions from the community to be successful.
“cOAlition S is pleased to announce that the American Chemical Society (ACS) has committed its full portfolio of more than 60 hybrid journals to become Plan S-aligned Transformative Journals.
ACS publishes 12 completely open access journals, which are already compliant with Plan S requirements. The commitment for the rest of its portfolio to become Transformative Journals will allow authors even greater flexibility in their choice of publication outlet….”
An agreement with the UC system and the American Chemical Society, or ACS, will allow every UC-authored article in the ACS to be published open access.
Open access means that these researchers’ works will be available to more people and have a greater impact, particularly in lower-income countries, according to Jeff MacKie-Mason, UC Berkeley librarian.
MacKie-Mason noted that this has been a long-term goal of the UC Academic Senate and UC libraries. He added this will also include a lower cost of publication for the researchers.
“Three California consortia, representing nearly 60 academic and research institutions, and the Publications Division of the American Chemical Society (ACS) today announced the first-ever California-wide transformative open access agreement. It is also ACS’ first “read and publish” agreement in the U.S. composed of multiple consortia. Through a partnership with the 10-campus University of California (UC) system, the 23-campus California State University (CSU) system, and 25 subscribing institutions represented by the Statewide California Electronic Library Consortium (SCELC), readers and researchers at dozens of California research institutions will be able to benefit from full access to subscription content while receiving support for open access publication in ACS’ portfolio of more than 75 premier chemistry journals….”
“The Federation of Asian Chemical Societies (FACS) is a federation of 32 chemical societies of countries and territories in the Asia Pacific, aiming to promote the advancement and appreciation of chemistry and the interests of professional chemists in the region. As of today, all activities and updates from the Federation of Asian Chemical Societies, as well as cutting-edge science articles, publications on the history of chemistry, interviews, and essays, will be available on ScienceOpen, as AsiaChem, the official magazine of FACS, has joined our network….”
“One of the first Gold Open Access (OA) titles published by Wiley, ChemistryOpen, has turned 10 years old! We are celebrating this milestone by taking the opportunity to reflect on the role of Gold OA in the current STEM (science, technology, engineering, and mathematics) publishing landscape.
Although many Open Access titles such as ChemistryOpen are now firmly established within chemistry journals, there are still some open questions about this publishing model in the community. This article attempts to address some of these frequently asked questions. Read more on the 10th birthday of ChemistryOpen and the history of the first society-owned Open Access title in general chemistry, the other types of OA publishing models, what is behind the payment of Article Publication Charges (APCs), and how publishing Open Access benefits you and your audience….”
The Publications division of the American Chemical Society (ACS) and Jisc consortium have reached a transitional agreement which will serve researchers in the UK across all fields of chemistry.
The three-year agreement, which will last through 2024, provides the ability for all scientific articles published by researchers at UK universities and research institutes in ACS journals to be open access (OA) at no cost to the researcher.
“Jisc and the Royal Society of Chemistry have extended and revised their transformative agreement until the end of 2024. Now utilising all previous expenditure to support open access (OA) publications, the deal covers all expected publishing output in the Royal Society of Chemistry’s hybrid journals portfolio….”
Abstract: […] We argue that the recent advent of automated, continuous geochemical monitoring at volcanoes now allows us to track activity from unrest to eruption, thus providing valuable insights into the behavior of volatiles throughout the entire sequence. In the next 10 years, the research community stands to benefit from the expansion of geochemical monitoring networks to many more active volcanoes. This, along with technical advances in instrumentation, and in particular the increasing role that unoccupied aircraft systems (UAS) and satellite-based observations are likely to play in collecting volcanic gas measurements, will provide a rich dataset for testing hypotheses and developing diagnostic tools for eruption forecasts. The use of consistent, well-documented analytical methods and ensuring free, public access to the collected data with few restrictions will be most beneficial to the advancement of volcanic gas science.
“Registration for the next batch of Open-Source Tools workshops run by the RSC Chemical Information and Computer Applications Group is now open….”
In computational chemistry, the chemical bond energy (pKa) is essential, but most pKa-related data are submerged in scientific papers, with only a few data that have been extracted by domain experts manually. The loss of scientific data does not contribute to in-depth and innovative scientific data analysis. To address this problem, this study aims to utilize natural language processing methods to extract pKa-related scientific data in chemical papers.
Based on the previous Bert-CRF model combined with dictionaries and rules to resolve the problem of a large number of unknown words of professional vocabulary, in this paper, the authors proposed an end-to-end Bert-CRF model with inputting constructed domain wordpiece tokens using text mining methods. The authors use standard high-frequency string extraction techniques to construct domain wordpiece tokens for specific domains. And in the subsequent deep learning work, domain features are added to the input.
The experiments show that the end-to-end Bert-CRF model could have a relatively good result and can be easily transferred to other domains because it reduces the requirements for experts by using automatic high-frequency wordpiece tokens extraction techniques to construct the domain wordpiece tokenization rules and then input domain features to the Bert model.
By decomposing lots of unknown words with domain feature-based wordpiece tokens, the authors manage to resolve the problem of a large amount of professional vocabulary and achieve a relatively ideal extraction result compared to the baseline model. The end-to-end model explores low-cost migration for entity and relation extraction in professional fields, reducing the requirements for experts.
“CORE and Iris.ai are extremely pleased to announce the initiation of a new research collaboration funded by the Norwegian Research Council.
Discovering scientific insights about a specific topic is challenging, particularly in an area like chemistry which is one of the top-five most published fields with over 11 million publications and 307,000 patents. The team at Iris.ai have spent the last 5 years building an award-winning AI engine for scientific text understanding. Their patented algorithms for identifying text similarity, extracting tabular data and creating domain-specific entity representations mean they are world leaders in this domain.
The AI Chemist project is a collaboration between Iris.ai and The Open University, Oxford University, Trinity College, Dublin and University College, London. CORE is a not-for-profit platform delivered by The Open University in cooperation with Jisc that hosts the world’s largest collection of open access scientific articles. As of February 2022, the CORE dataset provides metadata information (title, author, abstract, publishing year, etc.) for approximately 210 million articles, and the full text for 29.5 million articles.”
Abstract: The Brazilian Compound Library (BraCoLi) is a novel open access and manually curated electronic library of compounds developed by Brazilian research groups to support further computer-aided drug design works, available on https://www.farmacia.ufmg.br/qf/downloads/. Herein, the first version of the database is described comprising 1176 compounds. Also, the chemical diversity and drug-like profiles of BraCoLi were defined to analyze its chemical space. A significant amount of the compounds fitted Lipinski and Veber’s rules, alongside other drug-likeness properties. A comparison using principal component analysis showed that BraCoLi is similar to other databases (FDA-approved drugs and NuBBEDB) regarding structural and physicochemical patterns. Furthermore, a scaffold analysis showed that BraCoLi presents several privileged chemical skeletons with great diversity. Despite the similar distribution in the structural and physicochemical spaces, Tanimoto coefficient values indicated that compounds present in the BraCoLi are generally different from the two other databases, where they showed different kernel distributions and low similarity. These facts show an interesting innovative aspect, which is a desirable feature for novel drug design purposes.
“Now, the American Chemical Society, the Royal Society of Chemistry, Taylor & Francis and Wiley will collaborate with ScienceDirect on a six-month pilot project to better understand how we can address these challenges.
During the pilot, researchers will be able to search and browse more than 70,000 articles in 35 journals from these participating publishers, alongside Elsevier’s content on ScienceDirect. The journals are all Organic Chemistry and Transportation titles, including most of the top journals in these fields. …”
“Earlier today Elsevier announced a pilot project in which the American Chemical Society, the Royal Society of Chemistry, Taylor & Francis, and Wiley will syndicate selected content to the ScienceDirect platform. The articles will appear in search and browse listings….
For purposes of the pilot, the display and access to full text will vary from the Elsevier content. Abstracts of the pilot content will be viewable on ScienceDirect. When the pilot content is open access, the text will be available on ScienceDirect; however, the user will be linked to the original publisher’s website for the formatted PDF. If the content is only available by subscription, users will be linked to the original publisher’s website with no display of full text on ScienceDirect. Users who are entitled to the subscription content, as determined on ScienceDirect through GetFTR functionality, will be linked directly to the full text on the original publisher’s website. …
In essence, this pilot reminds us that ScienceDirect is already a freely available discovery tool and a user of ScienceDirect gets all of the benefits of a subscription database, whether they are only able to access the open access publications on the platform or if their entitlements enable access to subscription Elsevier – and now other publisher – content as well. …”