Notes From Our Sponsors

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Division of Chemical Information Sponsors Spring 2016

The American Chemical Society Division of Chemical Information is very fortunate to receive generous financial support from our sponsors. Their support allows us to maintain the high quality of the Division’s programming, to promote communication between members at social functions at the ACS Spring 2016 National Meeting in San Diego, CA, and to support other divisional activities during the year, including scholarships to graduate students in chemical Information.

The Division gratefully acknowledges contributions from the following sponsors:

Gold                            
Journal of Chemical Information & Modeling (ACS Publications)

Silver                          
InfoChem
Royal Society of Chemistry

Bronze                        
 Journal of Cheminformatics (Springer)
Chemical Semantics 
MestReLab Research
PerkinElmer
Thieme Chemistry
tranSMART Foundation
Wiley ChemPlanner

Contributors                
Bio-Rad Laboratories

Dotmatics

Opportunities are available to sponsor Division of Chemical Information events, speakers, and material. Our sponsors are acknowledged on the CINF web site, in the Chemical Information Bulletin, on printed meeting materials, and at any events for which we use their contribution. For more information please review the sponsorship brochure at http://www. acscinf.org/PDF/CINF_Sponsorship_Brochure.pdf. Please feel free to contact me if you would like more information about supporting CINF.

Graham Douglas
Chair pro tem, Fundraising Committee 2016
Email: sponsorship@acscinf.org
Tel: 510-407-0769

The ACS CINF Division is a non-profit tax-exempt organization with taxpayer ID no. 52-6054220.

Journal of Chemical Information and Modeling (ACS Publications)

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ImageThe Journal of Chemical Information and Modeling and the Journal of Medicinal    Chemistry are pleased to introduce a joint virtual Issue on computational methods fordrug discovery and design. This virtual Issue showcases the synergy and complementary nature of these journals by highlighting publications that delineate the entire spectrum of computational methods and applications that arerelevant for drug discovery. The Virtual Issue continues shared initiatives of the two journals including, for instance, the development of a joint editorial policy on QSAR/QSPR and proprietary data. View the issue at: bit.ly/1PRiaih.

InfoChem adds chemical search capabilities to the WIPO PATENTSCOPE system

Munich, Germany (October 19, 2015) – InfoChem GmbH (www.infochem.de), leading provider in chemical structure and reaction technology as well as data mining in chemical scientific and patent documents, announced today that they have been designated by the World Intellectual Property Organization (WIPO) in Geneva to implement the project “Addition of chemical search capabilities to the WIPO ImagePATENTSCOPE search system”.

The goal of this project is to identify, tag and index chemical entities such as IUPAC Names, trade and brand names and trivial names in the PATENTSCOPE full-text documents using InfoChem’s highly acknowledged named entity recognition technology ICANNOTATOR.  Additionally, structure search capabilities for chemical compounds will be added to the PATENTSCOPE search user interface. The cooperation is planned for at least three years, during which time various enhancements to the PATENTSCOPE search system will be implemented with the aim of improving the discoverability of the PATENTSCOPE patent full-text collections.

About InfoChem

InfoChem GmbH (www.infochem.de), based in Munich, Germany, is a market leader in structure and reaction handling and retrieval. Founded in 1989, InfoChem focuses on the production and marketing of new chemical information products, including structural and reaction databases, and the development of software tools required for these applications. The main software tools provided are the InfoChem Fast Search Engine (ICFSE), the InfoChem Chemistry Cartridge for Oracle (ICCARTRIDGE), and the widely-used InfoChem reaction classification algorithm CLASSIFY. InfoChem distributes one of the largest structural and reaction files worldwide, currently containing 5.2 million organic compounds and facts and 4.5 million reactions covering the chemical literature published since 1974 (SPRESI). In addition, InfoChem provides tools for the automatic recognition and extraction of chemical entities and their conversion into chemical structures as well as the semantic enrichment of chemical science documents. Springer GmbH (Berlin) has held a majority interest in InfoChem since 1991. For more information go to www.infochem.de.

 

Media Contacts
InfoChem GmbH
E-Mail: info@infochem.de Tel. +49 (0) 89583002
Please feel free to contact us for more information about InfoChem, our current research projects, and our products.

 

Royal Society of Chemistry

Unlock 500 years of scientific history

Founded in 1841 as the Chemical Society, the Royal Society of Chemistry is one of the oldest and most eminent chemical societies in the world. In our collections, thousands of books, journals, letters, notes and pamphlets contain a valuable and fascinating Imagechronicle of chemical science from the 16th century to the present day.

The Historical Collection is a digital archive designed to make these significant scientific records widely-available. Featuring over 380,000 pages of scientific history, it allows easy access to documents that have shaped our understanding of chemistry, and helps to pinpoint the moments when key ideas first began to develop.

Highlights include:

  • The Roscoe Collection, featuring items on alchemy and early chemistry. The oldest is ‘De Secrets Mulierum,’ a compendium of medicinal knowledge from 1505.
  • The Davy Bookcase was donated in 1919 by George Holloway, a former society member. It contains items that were formerly the property of Sir Humphrey Davy.
  • Society publications, including copies of Chemistry in Britain and Education in Chemistry dating back to the 1960s, sit alongside annual reports and proceedings from the separate societies that merged to form the Royal Society of Chemistry.

It’s a unique resource, and a significant addition to any science library.

Developing the Frontiers project

Wholly society and institute owned, the Frontiers project aims to publish a series of high- impact, quality chemistry journals that showcase the very best research from China, Asia and the rest of the world to an international audience. Each journal has a top Chinese institute in the relevant field as a partner in the collaboration.

Currently available:

  • Inorganic Chemistry Frontiers publishes research articles, reviews, notes, comments and methods covering all areas of inorganic chemistry. Because the journal’s purpose is to report high-quality work of exceptional novelty (work of significant interest to a wide readership), it has strong interdisciplinary relevance. It is developed by The Chinese Chemical Society and Peking University.
  • Organic Chemistry Frontiers is our home for research from across organic chemistry.
  • Its emphasis is placed on studies that make significant contributions to the field of organic chemistry by reporting either new or significantly-improved protocols or methodologies. It is developed by The Chinese Chemical Society and Shanghai Institute of Organic Chemistry.

  • New to the series: Materials Chemistry Frontiers focuses on the synthesis and chemistry of exciting new materials, and the development of improved fabrication techniques. Announced last year, the journal is free to access until the end of 2018. It is developed by The Chinese Chemical Society and the Institute of Chemistry, Chinese Academy of Sciences.

If you are interested in gaining access to the Historical Collection or any of the Frontiers journals, please contact sales@rsc.org for more information.

 

Springer Chemistry News

Image Springer launches new platforms for open access portal and journals.

As part of the ongoing developments to improve the stability and flexibility of our systems, Springer has been working on a project to redesign and redevelop the open access SpringerOpen portal and journal websites. We are pleased to announce that the new SpringerOpen portal is now live with journal website migration in process. Take a look at an example of our new journal websites at http://jcheminf.springeropen.com.

The new websites are designed to offer a better experience for users while reading and to provide more effective community engagement. The benefits of the new journal websites include:

  • New global, open and transparent design, ensuring journals are identified as part of the

SpringerOpen stable of reputable and trustworthy journals

  • Faster updates using a new content management system
  • Improved performance, accessibility and standardization of technology enabling journals to grow and evolve

As part of the migration of journals to the new website platform, we have also changed the URL structure for SpringerOpen journals. The new structure ({journal URL}.springeropen. com) will ensure improved website availability globally, and improved search engine optimization, making it easier to discover content via search engines like Google. As the new websites and URLs go live, current URLs will continue to work via a redirect, so saved links and promotional activity will not be affected.

Our commitment to permanent accessibility remains unchanged – all articles published by SpringerOpen are deposited with a number of safe open access archives and are registered, with their URLs, with the International DOI Foundation (IDF).

Take a look at the new SpringerOpen portal and explore the journals at http://www. springeropen.com

Charlotte Hollingworth, Editor SpringerOpen

ImageNew Co-Editor-in-Chief for Chemistry Central Journal

We are delighted to welcome our new Co-Editor-in-Chief of Chemistry  Central Journal Dr King Kuok (Mimi) Hii from Imperial College London (http://www.ch.ic.ac.uk/mimi/).

Mimi completed her Ph.D. at the University of Leeds under the supervision of Prof. B. L. Shaw, FRS before moving to the University of Oxford to carry out research on the Heck arylation reaction in the group of Dr. John M. Brown, FRS. She started her independent career back at the University of Leeds, later moving to Kings College, and then to Imperial College London in 2003 where she was promoted to a Readership position in 2009. When we asked Mimi how she would describe her research, she commented “My key research interest is in the development of catalytic methodologies for atom- and step-efficient synthesis. In my research group at Imperial College London, we adopt a highly collaborative approach to problem solving; our projects are highly interdisciplinary, particularly with engineering and state-of-the-art spectroscopy.”

Mimi also shared her thoughts on how she feels chemistry will be a key area for future scientific developments. She explained “Compared to other subjects such as physics and biology, synthetic chemistry is often perceived as a less glamorous discipline. However, the ability to make any molecule at will, ‘on demand,’ and on a meaningful timescale will unlock hitherto unimagined opportunities for future scientific advances; for example, in the development of pharmaceuticals, agrochemicals, and other functional molecules and materials.”

As a broad scope, open access chemistry journal, Chemistry Central Journal presents novel research from all fields of chemistry and the interdisciplinary areas that converge with chemistry. Therefore we are very excited to have Mimi join our Editorial Board since her own work is a perfect example of collaborative research. For all the latest articles visit the Chemistry Central Journal website: http://ccj.springeropen.com/.

Charlotte Hollingworth, Editor SpringerOpen

 

First journal articles of Topics in Current Chemistry online

 

ImageIn the last issue of the Chemical Information Bulletin we announced that the book series Topics in Current Chemistry would be relaunched as a journal beginning 2016. The first journal articles are now available online to subscribers. The respective topical collections focus on “Analytical Chemistry for Cultural Heritage” and

“Cycloadditions in Bioorthogonal Chemistry.” Once completed, topical collections will also be available as hardcover editions in the series Topics in Current Chemistry Collections.

Further information is available on the journal homepage at www.springer.com/41061 and on the series homepage at www.springer.com/series/14181.

 

Steffen Pauly,
Editorial Director Chemistry www.springer.com/gp/chemistry
Twitter: @Springer_Chem

 

Mestrelab Research – Chemistry Software Solution

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Mestrelab Research specializes in the development of software for the processing and analysis of analytical chemistry data and chemical information. Our main product Mnova is a multiplatform (Windows, Mac, Linux) and multivendor software suite designed for combined NMR and LC/GC/MS techniques. Our new product Mbook, is an ELN designed for the synthetic chemist.

 

R&D is the primary focus and heart of our company with in-house developed next-generation reprocessing and analysis algorithm. This is all accompanied by our customer support which has been rated by users as excellent.Image

 

BASIC PLUGINS

NMR: NMR processing, analysis, simulation and reporting at your fingertips.

MS: Processing & analyzing LC/GC/MS data made simple.

ImageMnova acts as an interface for all our specific plugins. This shared interface and its automation abilities allow our users to minimize their learning curve and optimize workflows by combining different technique data on the same application.

ADVANCED NMR PLUGINS

 

NMRP: Prediction of NMR spectra from molecular structure; allows auto-assignments if combined with Mnova NMR.

qNMR: Arrive at optimal concentration or purity values.

RM: Simple, facilitated extraction of spectroscopic and chemical kinetic concentration data.

Verify: Automatic structure verification that

really works.

SMA: An open architecture solution to analyze simple mixtures by NMR.

Screen: A state-of-the-art automatic analysis tool for ligand screening NMR data.

DB:  A new concept for the shared storage of molecules, NMR and LC/GC/MS analytical

data, chemical and metadata.

PhysChem: Next generation algorithms for the prediction of physicochemical properties.

Other products:

 

ImageMspin:  It is a new multiplatform software tool  for the computation of NMR-related molecular properties, starting from 3D molecular structures.

 

 

 

ImageMbook: The Electronic Lab Notebook designed by chemists for chemists.

 

 

 

ImageMnova tablet app: This app has been designed to increase your NMR data analysis productivity and flexibility anywhere.

 

 

 

Visit our website: www.mestrelab.com and find out more about our software solutions or contact us for any further assistance.

Thieme Chemistry

Science of Synthesis and Pharmaceutical Substances releases

Thieme Chemistry is happy to announce new versions of their electronic reference works to be released in March 2016.

ImageScience of Synthesis 4.3 

The latest version of the

unique synthetic methodology tool for the most reliable chemical transformations includes approximately 1,500 pages of new content. Highlights include over 1,000 pages on “Catalytic Transformations via C—H Activation”, edited by Jin-Quan Yu and written by 40 authors. Also, included are updated reviews on topics such as the synthesis of silyl hydrides, vinylsilanes, fluoroarenes, chloroarenes, and bromoarenes, the chemistry of hypervalent iodoarenes and aryliodonium salts, and as arylphosphine oxides and heteroatom derivatives.

A short video introduction shows in an entertaining way how researchers can benefit from

Imageusing Science of Synthesis: https://www.youtube.com/ watch?v=rzDru_VLuaQ.

 

To get access to Science of Synthesis 4.3 or a free trial please visit http://sos.thieme.com.

For more information about Science of Synthesis please visit the website at www.thieme-chemistry.com/ sos.

Pharmaceutical Substances 4.0

The new version of Pharmaceutical Substances will be released at the end of March 2016 and will feature a completely redesigned, user-friendly interface. The intuitive and powerful search functionality will give easy access to the syntheses, patents and applications of over 2,600 APIs (active pharmaceutical ingredients), with 20 new APIs being included in this release. Enhanced print and export options and other new features will help users to save time when doing a literature search.

For further information about Pharmaceutical Substances please visit https://www.thieme. de/en/thieme-chemistry/pharmaceutical-substances-54819.htm. Details about version 4.0 will be included upon release.

 

ChemPlanner 1.0.4

Unique predictive software tool helps chemists to plan synthetic routes

ImageWiley ChemPlanner is a first-of-its-kind

tool that integrates computer-aided synthesis design capabilities with reaction mining approaches to offer productivity gains in synthesis planning. Designed for organic chemists in discovery and process development, ChemPlanner is an idea generator that will assist chemists in pharma, fine chemicals, agrochem and other sectors of the life sciences and chemical industries in discovering novel approaches for synthesizing their target molecules, and in identifying the optimal synthetic routes.

ChemPlanner can make creating routes faster and easier. With its combination of predictive reactions and curated information, the tool delivers the best of both worlds: computer-aided synthetic design backed up by millions of empirical reactions.

ChemPlanner, radically, not only gives the chemist existing experimental results, but also predicts reactions that should and do exist but have not yet been captured in the literature. For hundreds of molecules that chemists need to create to get to one drug, the software returns thousands of routes for them to consider.

For the chemist, ChemPlanner delivers increased productivity, time saved and solutions returned they may not have thought of and, with an ability to select for cost and environmentally-cleaner processes, the software delivers an all-around, additional tool to both the drug discovery workflow and to other parts of the chemical industry. For instance, ChemPlanner has the potential to cut time in the drug discovery workflow, with the possibility of increasing throughput, and getting new life-saving drugs to patients faster.

Go to www.chemplanner.com to learn more.