Product Announcements

ACS Style Guide

ACS Style Guide

The ACS Style Guide, Now Available Online

The ACS Style Guide is the definitive source for all information needed to write, review, submit, and edit scholarly and scientific manuscripts. An established resource for the chemistry community, The ACS Style Guide is not just a resource for ACS authors, but is referenced by other publishers, even beyond chemistry, within their instructions to authors and is used as a resource in teaching students how to effectively communicate scientific information.

The ACS Style Guide is now available online to libraries that subscribe to the ACS All Publications Package or the Academic Core+ package. Coming soon - complimentary personal access to the online edition will be available via the ACS ChemWorx research management platform.

RSC

RSC

2013 is shaping up to be a great year for the RSC so far!

The National Chemical Database Service, hosted by the RSC, is now live as part of a five year contract, funded by EPSRC http://cds.rsc.org/. Currently providing access to a series of commercial databases and services primarily for crystallographers and materials chemists, our aim is to expand the data sources within the NCDS so it is applicable to a wider range of chemical scientists. There will be provision to offer users: data management, data sharing, funder mandates and open science. We are also pleased to announce Materials Horizons, a new peer-reviewed journal for first reports of exceptional significance across the breadth of materials research. From launch until December 2015, all content will be free to access online, the first issue publishing in late 2013.

 More information is available at rsc.li/materials-horizons. And finally...ChemSpider now has help videos In Chinese, German, Hindi, Japanese, Russian, Spanish and Turkish. Take a look at the videos today http://www.chemspider.com/Help.aspx.

Journal of Cheminformatics

Journal of Cheminformatics

Journal of Cheminformatics Impact Factor 3.42

2 New themed series of papers now publishing

Semantik

Semantic Physical Sciences

Guest Editors:

2012 Skolnik Award winners
Peter Murray-Rust, University of Cambridge
Henry Rzepa, Imperial College London

  • From an invited workshop & symposium to investigate and formalise the use of semantics in physical sciences, applying primary technologies based on chemical mark-up language (CML) and MathML to create fully semantic declarative scientific objects
  • Publications include:
    • Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
    • CompChem: the semantics of CML for computational chemistry
    • Chemical datuments as scientific enablers

 

IUPAC

InChI and its influence on the domain of chemical information

Guest Editor

Antony Williams, Royal Society of Chemistry

  • Describing the applications and utility of the IUPAC International Chemical Identifier (InChI), and reviewing the need for a standard identifier in chemistry, the development of InChI, and its applications, limitations and future developments
  • Publications include

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InfoChem

InfoChem

- SPRESIweb version 2.12 successfully released

Spresi

InfoChem is pleased to announce the successful release of SPRESIweb 2.12.

The well-known web-based application gives direct access to the complete content of the SPRESI structure and reaction database that includes now 5.52 million compounds and 4.26 million reactions, covering the literature for the time period 1974-2011. Since 2006, all structures from the major chemical supplier catalogs were added alongside the literature structures, thus boosting the number of molecules to the 11.8 million contained in version 2.11. Now InfoChem has given SPRESI a major refresh and resumed the original concept of only including structures abstracted from the literature. This means that all the small molecules and common structures from catalogs that are not included in SPRESIweb have been removed. Therefore, SPRESI now only retains those catalog data and supplier links matching literature structures.

In addition all the data of those chemical supplier catalogs included in SPRESIweb have been updated and Apexmol and Ark Pharm have been added.

For more information about SPRESIweb click here or visit www.spresi.com.

 

- SPRESImobile App version 2.0 launched in September 2012

Spresi Mobile

InfoChem is pleased to announce the successfull launch of SPRESImobile 2.0 in September 2012. The free App, successfully introduced on iTunes in March and developed to perform structure and reaction searches on mobile devices, gives access to a subset of the SPRESI reaction data (ChemReact).

Reaction searching is the most important feature of the new iPhone and iPad App version: users are now able to perform exact, substructure, similar and all-in-one reaction searches, editing the queries with an ad hoc developed editor.

For more information about SPRESImobile click here.

Please feel free to contact us for more information about InfoChem, our current research projects and our products.

 

Optibrium

Optibrium Previews Derek Nexus for StarDrop in Hands-On Workshop at ACS Spring National Meeting

OptibriumToxicity of drug candidates is a major cause of expensive, late-stage failure in pre-clinical and clinical development.  At the ACS Spring 2013 National Meeting, Optibrium™ is previewing the Derek Nexus™ module for their StarDrop™ software platform discovery. This new module provides Lhasa Limited’s world-leading technology for knowledge-based prediction of key toxicities, integrated within StarDrop to help guide the design and selection of high quality compounds in drug discovery.

Optibrium will introduce the new Derek Nexus module at a free lunchtime workshop “Addressing toxicity in drug discovery.” This workshop will include a presentation by David Watson, CEO of Lhasa Limited, introducing their Derek Nexus platform, and a hands-on opportunity to try StarDrop. The workshop will be held on Tuesday, April 9th from 12:00 – 2:30 pm in Halls B2-C, Exhibitor Workshop Room 1 and lunch will be provided. Places are limited, so please register at www.optibrium.com or with the Optibrium team at booth #708 in the Exposition.

Using data from published and donated sources, Lhasa Limited’s Derek Nexus technology identifies structure-toxicity relationships that alert users to potential causes of compound toxicity in over 40 endpoints, including mutagenicity, hepatotoxicity and cardiotoxicity.

Optibrium’s StarDrop software platform guides decisions in drug discovery to quickly identify chemistries with a high chance of success against a drug discovery project’s objectives. StarDrop’s unique probabilistic scoring approach to multi-parameter optimisation allows predicted and experimental data to be given appropriate weights when balancing the many requirements for a high quality lead or candidate compound.

The combination of these technologies will enable chemists to intuitively balance the reduction of toxicity risk with the other requirements for a successful, safe and efficacious drug in hit-to-lead and lead optimisation. Furthermore, the region of a compound triggering a toxicity alert will be highlighted using StarDrop’s Glowing Molecule™ visualisation, helping to guide the interactive redesign of compounds to reduce liabilities.

If you aren’t attending the ACS Spring meeting you can find out more about StarDrop and Optibrium’s collaboration with Lhasa Limited at www.optibrium.com. Alternatively, call +44 1223 815 900 or email info@optibrium.com for more information.

PerkinElmer

PerkinElmer

TIBCO Spotfire® a Leader in Business Intelligence and Analytic Platforms

A report released by Gartner Inc. - “Magic Quadrant for Business Intelligence and Analytics Programs” -has placed the TIBCO Spotfire® software platform in the “Leaders Quadrant”, clearly identifying it as a market leader in business intelligence and analytics.

The report identified the TIBCO Spotfire platform as a “flexible and easy-to-use platform for… data discovery and analysis, for authoring analytic applications, for publishing interactive and visual dashboards, and for building predictive models and applications.” Users of the TIBCO Spotfire software platform report “success in terms of expanded usage over the past year”, an “above-average view of Spotfire's product quality” and “above-average performance scores”.

One of the greatest challenges for scientists today is the volume and diversity of data they need to capture and analyze to make knowledgeable and informed decisions that impact both research and business intelligence efforts. With the integration of the TIBCO Spotfire® software platform into the Ensemble® portfolio and our Electronic Laboratory Notebook solution, scientists now have direct access to state-of-the-art data analysis and visualization tools to reveal new insights from their data - quickly identifying new relationships, isolating significant outliers and easily spotting trends and patterns. More: http://www.cambridgesoft.com/news/details/?News=174.

Gartner Report Reaffirms PerkinElmer’s Leadership Position in ELN

A recently released report from technology research company Gartner has confirmed that PerkinElmer Inc. continues to be a leader in the Electronic Laboratory Notebook (ELN) field achieving the highest ratings of the 34 ELN vendors included in the report.

The report, ‘Manufacturers Must Consider Scientific Domain Expertise During ELN Selection’ published January 11, 2013, recognizes the critical importance of selecting an ELN vendor that can deliver the highest levels of domain specific functionality to ensure that the solution is tightly aligned with an organization’s scientific and business objectives. PerkinElmer's Ensemble® ELN platform achieved the highest ratings scores of “High” or “Very High” in all six scientific and functional domain categories (Biology, Chemistry, Formulation, Engineering, GxP and Translational Medicine). According to the report, the “High” ratings demonstrate “an ability to deliver deep functionality with out of the box solutions that are specific to the industry domain” while the “Very High” scores achieved by PerkinElmer Inc. in the Chemistry and GxP domains reflect that “the vendor has excellent scientific domain capabilities and is approaching the "de facto" standard”. More: http://www.cambridgesoft.com/news/details/?News=173

Thieme Chemistry

Thieme

Thieme E-Journals – Your first choice for research and information needs

The modern, user-friendly Thieme E-Journal platform gives easy access to the complete Thieme E-Journal collection, among them the chemistry-related journals SYNLETT, SYNTHESIS, SYNFACTS, Planta Medica and Drug Research.

The Thieme E-Journal platform offers:

  • Enhanced usability and a modern interface
  • New features such as the image view
  • Enhanced search engine optimization and data delivery options for even better searching and visibility of content (search engines, A&I services,  integration with link resolvers)
  • RightsLink partnership for a much easier and quicker way to permissions and reprints
  • Compatibility for mobile devices such as tablet computers and smart phones (via mobile browser)

Users may register for a personal account to benefit from a multitude of services including:

  • Possibility to save personal settings and queries
  • Customized interface
  • eFirst and table of contents alerting services
  • SDI (Selective Dissemination of Information) – alerting you to important results in your field of interest
  • RSS feeds

Authors are given the possibility to publish primary chemical data together with their research results. This service has been successfully launched for the synthetic organic chemistry journals SYNTHESIS and SYNLETT: Analytical data from various experiments can be registered and made available online via the Thieme E-Journal platform, using DOI recognition (Digital Object Identifiers). This enables scientists to easily locate research articles, including accompanying data, and make enhanced use of the scientific content.

Access the Thieme E-Journal platform:
http://www.thieme-connect.com/ejournals

Further information about primary data publication:
http://www.thieme-chemistry.com/en/products/journals/supplements/primary-data.html