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INSIDE THIS SPECIAL FALL 2020 Contents EDITION OF ACS AXIAL axial.acs.org deeper ACS PUBLICATIONS SHANGHAITECH UNIVERSITY NEW ENVIRONMENTAL SCIENCE & WHAT NEED LAUNCHESdive NEW JOURNALS PARTNERS WITH ACS PUBLICATIONS TO JOURNALS TO KNOW ABOUT Explore the ResearchFOCUSED behind ON theFOOD 2020 AND Journal Citation Reports® LAUNCH ACCOUNTS OF MATERIALS NAME EDITORS AND MACHINE LEARNING AGRICULTURAL RESEARCH OPEN FOR SUBMISSIONS The 2020 Journal Citation Reports® (JCR) show the vital role ACS Publications journals play in publishing important, highly cited research. Thanks to the dedication and brilliance of our authors and reviewers, 89% of ACS journals have an greater than 3 this year.

Browse this year’s JCR figures, which are based on citations from 2018 to 2019:

EXPLORE THE RESEARCH HOW ACS IS SUPPORTING THE LEARN HOW ACS SUPPORTS SCIMEETINGS: PRESENT YOUR RESEARCH BEHIND THE 2020 JOURNAL CHEMISTRY COMMUNITY DURING THE OPEN SCIENCE BEYOND THE ACS FALL 2020 VIRTUAL CITATION REPORTS® COVID-19 PANDEMIC MEETING & EXPO

Impact Factor 20.832

Impact Factor 4.473

Impact Factor

Impact Factor 4.152 8.758

Impact Factor

Impact Factor 4.486

Impact Factor 12.685

12.350 Impact Factor 4.434

Impact Factor Impact Factor 3.381 19.003 Impact Factor 3.418

Impact Factor

Impact Factor 3.975 Impact Factor 4.614 6.042

Impact Factor

Impact Factor Impact Factor 7.333 14.588 6.864

Impact Factor 2.870

Impact Factor Impact Factor 6.785 4.411 Impact Factor 7.632

Impact Factor 6.092 Impact Factor 2.865

Impact Factor 4.031 pubs.acs.org/acsagscitech ACS PUBLICATIONS LAUNCHES NEW JOURNALS FOCUSED ON FOOD AND AGRICULTURAL CHEMISTRY

ournal of Agricultural and Technical University of Munich and the chair of is growing into a family of journals with the Food Chemistry and Molecular Sensors. J launch of ACS Food Science & Technology Hofmann is a member of the ZIEL Institute for and ACS & Technology Food and Health and Codirector of the in 2021. These two new journals will offer Bavarian Biomolecular deeper dives into the two core fields covered Center. He received the 2014 ACS by the original Journal of Agricultural and Advancement in the Application of Agricultural Food Chemistry. This expansion reflects the and Food Chemistry Award. growing importance of both food chemistry and agricultural chemistry, as well as the increasing ACS Food Science & Technology will publish number of manuscripts produced in these research in all areas of food science, technology, exciting fields. engineering, and nutrition. The journal encourages submissions across fundamental and applied Both of the new journals will be led by Journal of research in food sciences. Professor Coralia Agricultural and Food Chemistry Editor-in-Chief Osorio Roa of the Universidad Nacional de Thomas F. Hofmann, alongside a Deputy Editor Colombia, Bogota, is the journal’s Deputy Editor. for each journal. Hofmann is the president of the ACS Agricultural Science & Technology will publish research in all areas of the agricultural sciences, technology, and engineering. The journal welcomes submissions across fundamental and applied research in agricultural sciences. Dr. Laura McConnell of Bayer’s Science Division is the journal’s Deputy Editor.

Both of these new journals expect to begin accepting submissions in September 2020, with their first articles appearing online later in the year and their first issues debuting in January 2021.

Visit pubs.acs.org/journal/jafcau for more information on the Journal of Agricultural and Food Chemistry family. pubs.acs.org/acsfoodscitech ACS Partner Journal SHANGHAITECH UNIVERSITY PARTNERS WITH ACS PUBLICATIONS TO LAUNCH ACCOUNTS OF MATERIALS RESEARCH

ACS Publications and ShanghaiTech University Accounts of Materials Research will also have partnered to launch a new journal, publish non-peer-reviewed commentaries that Accounts of Materials Research. This is the first give informed opinions on current research journal published by ShanghaiTech University problems. Accounts of Materials Research will and the first journal published by ACS in join the existing ACS portfolio of Accounts of collaboration with an organization in China. Chemical Research and Chemical Reviews as the foundation of a new high-impact review Accounts of Materials Research will present journal platform. short, concise, and critical articles offering overviews of basic research and applications in The journal’s first Editor-in-Chief is Northwestern all areas of and engineering. University Professor Jiaxing Huang. The Jiaxing Each short review will focus on research from Huang Group employs chemical principles and the author’s own laboratory and is designed to tools to advance materials processing and teach the reader about a research project. manufacturing, and uses the new materials it develops as a platform to address problems in world in the fields of energy, materials, society, as well as in other areas of science and environment, human health, biological medical engineering. engineering, data science, artificial intelligence, and electrical engineering. ShanghaiTech ShanghaiTech University is a young, dynamic promotes a student-centered educational university with a modern campus in the heart of approach, encouraging cross-disciplinary Shanghai Pudong’s Zhangjiang Hi-Tech Park. research to nurture the next generation of With the backing and support of Shanghai leading , inventors, and entrepreneurs. Municipal Government and the Chinese Academy of Sciences, ShanghaiTech is committed to Most articles published in Accounts of tackling the challenges facing China and the Materials Research are by invitation; however, proposals will be considered and may result in an invitation.

JULY 2020

VOLUME 1

NUMBER 1

pubs.acs.org/amr

Professor Jiaxing Huang Editor-in-Chief Northwestern University

www.shanghaitech.edu.cn/eng www.acs.org

PUBLISHED IN PARTNERSHIP WITH SHANGHAITECH UNIVERSITY & ACS PUBLICATIONS pubs.acs.org/amr

NEW ES&T JOURNALS NAME EDITORS AND OPEN FOR SUBMISSIONS

THE TWO NEWEST MEMBERS OF ACS ES&T Engineering THE ENVIRONMENTAL SCIENCE & Led by Editor-in-Chief Wonyong Choi, ACS TECHNOLOGY FAMILY OF JOURNALS, ES&T Engineering will publish high-impact ACS ES&T ENGINEERING AND research and review/perspective articles in ACS ES&T WATER, ARE NOW all areas of environmental technology and OPEN FOR SUBMISSIONS. THE engineering through a highly rigorous peer- LAUNCH OF THESE TWO JOURNALS review process. REFLECTS THAT THESE ARE FAST- Professor Choi is head of the Division of GROWING AREAS OF SCIENTIFIC Environmental Science and Engineering at RESEARCH, FOCUSING ON SOME OF POSTECH in Korea and served as an editor for the Journal of Hazardous Materials from 2008 SOCIETY’S MOST IMPORTANT GRAND to 2017 and as an Associate Editor for ES&T CHALLENGES AND AFFECTING OUR from 2017 to 2019. DAILY LIVES. He is joined by three Associate Editors: Professor Nancy G. Love of the University of Michigan, Professor Jaehong Kim of Yale University, and Professor Jun Ma of the Harbin Institute of Technology. ACS ES&T Engineering is a specialist journal that aims to serve as an international forum for research and innovation around materials, , processes, data analytics, and engineering systems that manage, protect, and remediate air, water, and soil quality; treat wastes; Wonyong Choi Pohang University of recover resources; support effective decision-making within complex Science and engineered systems; and are informed by mechanistic science and Technology (POSTECH) analytics that describe complex environmental engineering systems. Korea

ACS ES&T Water

Led by Editor-in-Chief Shane A. Snyder, ACS ES&T Water is a high- quality specialist journal dedicated to water research and policy. This international, multidisciplinary journal will publish novel, high-impact, peer-reviewed research on all aspects of water quality, chemistry, treatment, protection, and sustainable use/reuse and supply.

Snyder is a professor in the School of Civil and Environmental Engineering Shane A. Snyder, at Nanyang Technological University in Singapore and executive director Ph.D. Nanyang Environment of NTU’s Nanyang Environment and Water Research Institute. Before he and Water Research arrived at NTU, he served as a professor of chemical and environmental Institute engineering and the codirector of the Water & The journal considers both marine and Energy Sustainable Technology (WEST) Center freshwater environments, as well as water used at the University of Arizona, where he maintains for industrial and municipal applications. ACS his affiliation with the College of Engineering. ES&T Water’s multidisciplinary research focus He is also a fellow of the International Water also welcomes other water-related research Association and a member of the World Health fields. Manuscripts describing public policy and Organization’s Drinking Water Advisory Panel. the underlying science used for decision-making are also encouraged. He is joined by three Associate Editors: Professor Ching-Hua Huang of the Georgia Both ACS ES&T Engineering and ACS ES&T Water Institute of Technology, Professor Jörg E. Drewes are open for submissions. of the Technical University of Munich, and Associate Professor Min Yang of the Chinese Academy of Sciences.

pubs.acs.org/estengg pubs.acs.org/estwater WHAT CHEMISTS NEED TO KNOW ABOUT MACHINE LEARNING (AND SO MUCH MORE) IN CHEMISTRY, MACHINE LEARNING CAN BE MOST FRUITFULLY APPLIED TO THREE BROAD AREAS: REVEALING PATTERNS, OVERCOMING LIMITATIONS, AND ACCELERATING ANALYSIS. Revealing Patterns Where Few or None Are Known Much of a modern ’s or engineer’s work involves the development of structure– property relationships. The researcher in the chemical sciences carries out experiments or computational modeling across a range of or materials, and then aims to understand what attributes of the chemical composition led to the observed outcome (e.g., reaction yield) or property (e.g., fluorescence). The scientist may then attempt to simplify the mapping between the set of molecules studied and the set of observed 1 properties using a few quantities of the molecules, sometimes called “descriptors” or “features.” Machine-learning models and techniques can complement and assist this traditional form of inquiry. For instance, linear regression that avoids overfitting (e.g., through cross-validation) can be used to identify the most informative descriptors for property prediction.

Collecting a large series of possible features or descriptors and evaluating their predictive performance, even in simple linear or kernel models on set-aside test data, can help to reveal previously unrecognized patterns in large data sets. Beyond set-aside test data from an original training data source, the generality of a relationship can also be tested by applying trained models to more distinct data sets. Furthermore, statistical analysis of the most important features, identified through feature selection or dimensionality-reduction techniques for multiple properties, can reveal the extent to which distinct properties can be independently tuned. For large data sets, statistical techniques can provide an excellent starting point for the structure–property relationship if no patterns are known. Overcoming the Limits of Simple Models and Human Experience As part of scientific inquiry, chemists frequently develop heuristics and theories to explain newly observed phenomena. However, people can be overconfident in heuristics and the extent of prior knowledge. Truly nonlinear or more complex relationships can be difficult to conceptualize but readily predicted by a neural network with precision beyond that of an expert. Even when using opaque models such as neural networks, their rapid evaluation can make it possible 2 for the scientist to test predictions and reveal outcomes that were unknown previously. Human intuition and experience can be essential to guiding model development, but expert knowledge has a limit in transferability among researchers. Each new graduate student must consult and interpret the same literature or coursework to reach a specific level of expertise. Interaction between people and models can help to avoid excessive duplication of the time needed for knowledge acquisition. While the models need not replace traditional scientific inquiry, they can provide support to researchers. Accelerating Computations and Analysis to Enable Rapid Discovery in Challenging Materials Spaces Evaluation of a trained machine-learning model is likely to be orders of magnitude faster than whichever method, experimental or computational, was used to generate the training data. Such a model can then be used, for example, to evaluate lead compounds if those compounds are similar enough to the training data for the model to be reliable. A key challenge is quantifying the uncertainty in model 3 prediction to know when the limits of reliability have been reached. Alternatively, high-promise but low-certainty compounds can be exploited by turning this problem on its head in an approach known as “active learning,” wherein new experiments or calculations can be carried out to acquire the most useful data to enrich models. In all cases, we should ask, “What can we learn now that we did not know directly from the experiment or calculation?” Want More?

This excerpt is from Machine Learning in Chemistry by Jon Paul Janet and Heather J. Kulik, one of the launch titles of ACS In Focus, a new series of e-books from ACS Publications. These multimedia e-books help scientists gain a fundamental understanding of a critical or emerging topic in just 4 to 6 hours. These titles are written in plain language to help you grasp key concepts quickly. With features such as pop-up glossaries, author videos, quick overviews of key points, and plenty of references for further reading, these titles give scientists the grounding they need to engage with literature outside their immediate field.

Visit pubs.acs.org/series/infocus for more information. deeper dive Explore the Research behind the 2020 Journal Citation Reports®

The 2020 Journal Citation Reports® (JCR) show the vital role ACS Publications journals play in publishing important, highly cited research. Thanks to the dedication and brilliance of our authors and reviewers, 89% of ACS journals have an Impact Factor greater than 3 this year.

Browse this year’s JCR figures, which are based on citations from 2018 to 2019:

Impact Factor 20.832

Impact Factor 4.473

Impact Factor

Impact Factor 4.152 8.758

Impact Factor

Impact Factor 4.486

Impact Factor 12.685

12.350 Impact Factor 4.434

Impact Factor Impact Factor 3.381 19.003 Impact Factor 3.418

Impact Factor

Impact Factor 3.975 Impact Factor 4.614 6.042

Impact Factor

Impact Factor Impact Factor 7.333 14.588 6.864

Impact Factor 2.870

Impact Factor Impact Factor 6.785 4.411 Impact Factor 7.632

Impact Factor 6.092 Impact Factor 2.865

Impact Factor 4.031

Impact Factor Impact Factor 52.758 3.184

Impact Factor Impact Factor 9.567 4.089

Impact Factor 3.421

Impact Factor 7.864

Impact Factor 7.678

Impact Factor 3.573

Impact Factor Impact Factor 4.825 Impact Factor 2.369 4.192

Impact Factor Impact Factor 5.011 1.385 Impact Factor 4.549

Impact Factor 6.205 Impact Factor 3.779

Impact Factor

4.074 Impact Factor 14.612

Impact Factor 3.255

Impact Factor 3.557

Impact Factor 5.918

Impact Factor 4.321

Impact Factor 11.238

Impact Factor 6.091 Impact Factor 3.023

Impact Factor 4.335

Impact Factor Impact Factor 2.600 3.804

Impact Factor 2.857

Impact Factor 4.189

Impact Factor 6.710

FOR MORE INFORMATION, VISIT axial.acs.org/JCR HOW ACS IS SUPPORTING THE CHEMISTRY COMMUNITY DURING THE COVID-19 PANDEMIC hemists have faced substantial Organization (WHO) immediately upon challenges during the ongoing publication, for inclusion in the WHO COVID-19 C COVID-19 pandemic, and the editors of research database. ACS Publications journals are no exception. „ The Journal of Chemical Education, the ACS They’re working from home, teaching online, or Division of Chemical Education, and ACS researching potential solutions to the pandemic, Publications have published a Virtual Issue on just like you. This crisis has affected the entire Resources for Teaching Chemistry Online. chemistry community. But science continues to „ light the way, and ACS is here to support chemists ACS Chemical is publishing and advance science during this difficult time. perspectives pieces from chemists affected by the pandemic, sharing how the outbreak and ACS Publications’ pandemic-era initiatives resulting lockdowns have affected their work. include: „ ACS Publications enabled remote access „ Our Chemistry in Coronavirus Research Virtual options via federated authentication for chemists Issue features dozens of recent research who are now working from home, away from articles on the virus, as well as commentary their institution’s connection to ACS content. and perspectives on the pandemic. All content „ ACS SciMeetings is making it easy for published in this virtual issue is free to read researchers to share research they would’ve through the end of 2020. presented at in-person scientific conferences. „ We are sharing all articles related to „ C&EN has made all of its COVID-19 content free COVID-19/coronavirus with the World Health to read. „ ACS Chemical Neuroscience is calling for papers for a Special Issue on the Neurological Impacts of COVID-19. „ Environmental Science & Technology is calling for papers for a Special Issue on Environmental Transmission and Control of COVID-19. „ CAS, a division of the American Chemical Society, is reaching out to offer its considerable expertise to organizations investing their efforts at vaccine and therapeutic research as they evaluate the means to combat COVID-19. „ ACS is highlighting the latest COVID-19 research appearing on ChemRxiv.

ACS Publications continues to look for new ways to help chemists during this difficult time. Please keep checking ACS Axial for additional resources.

A SPECIAL REPORT ON THE R&D ON THERAPEUTIC AGENTS AND VACCINES FOR COVID-19 AND RELATED HUMAN CORONAVIRUS DISEASES While no one can predict when a solution will be found, we all know where it will come from—a lab.

Science gives us hope, because even when we’re apart, chemistry bonds us together. “What’s ACS doing to help me collaborate in new fields?”

ACS widens your reach by breaking barriers to open. LEARN HOW ACS SUPPORTS OPEN SCIENCE

ACS is committed to supporting the global research community by offering the tools you need to help you participate in open science. As part of ACS’s pledge to advance open science, ACS Publications has launched a new resource center (www.ACSOpenScience.org) to support researchers, librarians, and other participants in this emerging movement.

Over the past several years, ACS Publications has committed to the open science movement by creating two fully open access journals, ACS Central Science and ACS Omega, and recently launched a third, JACS Au. At the same time, ACS Publications is making it easier for researchers to publish open through new Read + Publish Agreements. ACS has also led the way in other aspects of open science, including spearheading ChemRxiv, the preprint server for chemistry, and most recently through the launch of the ACS Research Data Center. ACS Publications authors, readers, and librarians in any ACS Publications journal at no additional can find a host of new and improved features on cost. You can search the site to see if you are ACSOpenScience.org, including: eligible for support from your institution.

„ Step-by-step guides. Whether you’re trying to Through this new open science resource center, meet a funder mandate or want to make your ACS aims to speed the transition to an open research available to a wider audience, the site science future among its global community of includes everything you need to know to make researchers. open access publishing easier. „ Tools to help share your research. Learn how “Open science is a positive development to share primary research data through the for the dissemination of research to the ACS Research Data Center. global community,” says ACS Publications „ Up-to-date information on institutions with President Dr. James Milne. “The goal is to ACS Read + Publish Agreements. These increase the transparency, accessibility, and agreements bundle the cost of publishing open access research with the institution’s replicability of subscription costs, allowing affiliated research, which are all ambitions corresponding authors to publish open access ACS fully supports.” ACSOpenScience.org

SCIMEETINGS: PRESENT YOUR RESEARCH BEYOND THE ACS FALL 2020 VIRTUAL MEETING & EXPO

Increase your visibility. Expand your network. Distinguish your research.

very year, hundreds of thousands of August 17–20, attendees are invited to view researchers share their research findings at more than 250 broadcast sessions, 5,000 E in-person conferences. Scientific content papers, a virtual Expo Hall, and more, in an created for these conferences has traditionally online setting. All accepted abstracts will be been limited to the audience present at a given automatically added to SciMeetings as a part of event, with no wider distribution or long-term the meeting archive. preservation. It’s time to do meetings differently. Presenters then have the additional opportunity In 2020, the spread of COVID-19 caused a global to make their poster or presentation available disruption, forcing conference cancellations on SciMeetings at the conclusion of the ACS Fall and postponements. As such, the ACS Fall 2020 2020 Virtual Meeting & Expo. National Meeting & Expo has moved to a Virtual Meeting & Expo. Why should you join in? Fall 2020 Virtual Meeting & Expo presenters should complete their SciMeetings upload because: „ There’s no additional cost to upload your poster or presentation to SciMeetings. „ Your work becomes part of the permanent scientific record. „ Content receives a citable digital object identifier (DOI) and an open access license. „ Your poster or presentation will be discoverable across the ACS Publications platform. „ SciMeetings enables you to disseminate your research beyond the Virtual Meeting with social sharing and commenting. „ You can track downloads and views to your scientific poster or presentation.

SciMeetings includes an online poster and presentation publication service aimed at expanding the reach and impact of early-stage research and globalizing professional networking. ACS Publications created SciMeetings to provide an archive for posters and presentations from the terminated ACS Spring 2020 National Meeting & Expo. SciMeetings hosts more than 2,400 posters and presentations from the Spring Meeting. During #ACSSciMeet, more than 290 presenters shared their SciMeetings content on Twitter and Instagram. Content uploaded to SciMeetings has been viewed and downloaded more than 42,000 times—more than doubling the exposure a poster or presentation would get at a traditional in-person event. scimeetings.acs.org Get More Stories Like This Every Month

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