Workshop on Open-Source Tools for Chemistry | Macs in Chemistry

“All scientists working in chemistry need software tools for accessing, handling and storing chemical information, or performing molecular modelling and computational chemistry. There is now a wealth of open-source tools to help in these activities; however, many are not as well-known as commercial offerings. This workshop offers a unique opportunity for attendees to try out a range of open-source software packages for themselves with expert tuition in different aspects of chemistry.”

 

Repurposing the open access malaria box reveals compounds with activity against Tritrichomonas foetus trophozoites – PubMed

Abstract:  The protozoan parasite Tritrichomonas foetus causes early embryonic death in cattle which results in severe economic loss. In the United States, there are no drugs are approved for treatment of this pathogen. In this study, we evaluated in vitro anti-protozoal effects of compounds from an open access chemical library against T. foetus trophozoites. An initial high-throughput screen identified 16 compounds of interest. Further investigation revealed 12 compounds that inhibited parasite growth and 4 compounds with lethal effects. For lethal compounds, dose-response curves were constructed and the LD50 was calculated for laboratory and field strains of T. foetus. Our experiments revealed chemical scaffolds that were parasiticidal in the micromolar range, and these scaffolds provide a starting point for drug discovery efforts. Further investigation is still needed to investigate suitability of these scaffolds and related compounds in food animals. Importantly, open access chemical libraries can be useful for identifying compounds with activity against protozoan pathogens of veterinary importance.

 

Open access in silico tools to predict the ADMET profiling of drug candidates – PubMed

Abstract:  Introduction: We are in an era of bioinformatics and cheminformatics where we can predict data in the fields of medicine, the environment, engineering and public health. Approaches with open access in silico tools have revolutionized disease management due to early prediction of the absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles of the chemically designed and eco-friendly next-generation drugs.

Areas covered: This review meticulously encompasses the fundamental functions of open access in silico prediction tools (webservers and standalone software) and advocates their use in drug discovery research for the safety and reliability of any candidate-drug. This review also aims to help support new researchers in the field of drug design.

Expert opinion: The choice of in silico tools is critically important for drug discovery and the accuracy of ADMET prediction. The accuracy largely depends on the types of dataset, the algorithm used, the quality of the model, the available endpoints for prediction, and user requirement. The key is to use multiple in silico tools for predictions and comparing the results, followed by the identification of the most probable prediction.

Celebrating 5 Years of Open Access with ACS Omega | ACS Omega

“2020 marks the fifth year in which ACS Omega has published high-quality content that describes new findings in chemistry and interfacing areas of science, without any perceived evaluation of immediate impact. Since January, all front covers and much of our marketing material have included a badge commemorating this significant milestone.

For us—the Editors, the journal, and the staff at ACS Publications—time seems to have passed remarkably quickly since we first set out on this mission to provide a fully open-access platform to disseminate technically sound research that advances the frontiers of science through original ideas. The journal has come a long way since the first issue in volume 1 was released in July 2016, and the quality of the work published throughout this time has been consistently high. Starting with the publication of research articles only, we then added “Perspective” and “Mini-Review” manuscript types to allow exposure of recent trends in a wide variety of areas, thus broadening the scope and appeal of the journal. The year-on-year increase in submissions and published output reflects the progress the journal has made. ACS Omega has published over 7000 articles from researchers based in 98 different countries. We received our latest impact factor of 2.87 this summer and earned 10?646 citations in 2019 (Journal Citation Reports, Clarivate), another indicator of the progress the journal has made in a short space of time. We have our Editors (both past and present), our dedicated ACS staff, our reviewers, our authors, and our readership to thank for the vital contributions they have made to the success of the journal….”

American Chemical Society signs transformative open access agreement with Polish Academic Consortium | STM Publishing News

“The Publications Division of the American Chemical Society (ACS) is pleased to announce that it has signed a transformative “read and publish” agreement with the Polish Academic Consortium. The agreement, which lasts through 2022, will benefit 51 institutions across Poland and will enable hundreds of articles to be made open access each year.

Under the terms of this agreement, researchers at universities across Poland will be able to publish under the most liberal of open access licenses, CC-BY. They will also benefit from a highly streamlined process aligning their journal article to the article publication charges covered by this agreement. Researchers at participating institutions will also have access to the over 65 premier journals published by ACS….”

American Chemical Society signs transformative open access agreement with Polish Academic Consortium | STM Publishing News

“The Publications Division of the American Chemical Society (ACS) is pleased to announce that it has signed a transformative “read and publish” agreement with the Polish Academic Consortium. The agreement, which lasts through 2022, will benefit 51 institutions across Poland and will enable hundreds of articles to be made open access each year.

Under the terms of this agreement, researchers at universities across Poland will be able to publish under the most liberal of open access licenses, CC-BY. They will also benefit from a highly streamlined process aligning their journal article to the article publication charges covered by this agreement. Researchers at participating institutions will also have access to the over 65 premier journals published by ACS….”

The growth of open access publishing in geochemistry – ScienceDirect

“Highlights

 

• 40% of articles in 2018-2019 published as Gold Open Access (OA).
• 70% in fully OA journals with a mean Article Processing Charge (APC) of US$ 900.
• 30% in historical hybrid journals with higher APC of more than $US 1,800.
• Correlation between number of OA articles in hybrids journals and impact factor.
• Relationship between number of OA articles in fully OA journals and APC….”

 

The rise of preprints in chemistry | Nature Chemistry

“Chemistry is now starting to embrace preprints, with more and more researchers in chemical and materials sciences posting their manuscripts online prior to peer review. Preprints can speed up the dissemination of scientific results and lead to more informal exchanges between researchers, hopefully accelerating the pace of research as a whole….

Several bibliometric studies have shown that preprints also increase the visibility of the work being done5 by combining two distinct advantages: they are open access, and they appear online earlier than the final peer-reviewed publication. This typically translates into more views and higher impact than non-preprinted articles in the same field6,7: namely, preprinted articles typically have better online metrics, attention scores and number of citations8. …”

The American Society for Biochemistry and Molecular Biology and Elsevier announce new publishing partnership

“The American Society for Biochemistry and Molecular Biology (ASBMB) and Elsevier, a global information analytics business specializing in science and health, are delighted to announce a new partnership to publish the ASBMB’s Journal of Biological Chemistry (JBC), Molecular & Cellular Proteomics (MCP) and Journal of Lipid Research (JLR). As part of this agreement, all three titles will move to a gold open access (OA) publishing model, making articles immediately and permanently available for everyone to read, download, copy and distribute. The journals will be hosted on Elsevier’s leading online platform, ScienceDirect, beginning January 1, 2021….

Elsevier’s experience transitioning journals to gold open access was a key factor in their selection….”

ASBMB journals move to open access

“The ASBMB [American Society for Biochemistry and Molecular Biology] is pleased to announce that the society’s three highly regarded journals — Journal of Biological Chemistry, Molecular & Cellular Proteomics and Journal of Lipid Research — will be fully open access beginning in January 2021….”