Antony John Williams

Publications (303) View all

• Article: Open PHACTS: semantic interoperability for drug discovery.

  Antony J Williams, Lee Harland, Paul Groth, Stephen Pettifer, Christine Chichester, Egon L Willighagen, Chris T Evelo, Niklas Blomberg, Gerhard Ecker, Carole Goble, Barend Mons
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  ABSTRACT: Open PHACTS is a public-private partnership between academia, publishers, small and medium sized enterprises and pharmaceutical companies. The goal of the project is to deliver and sustain an 'open pharmacological space' using and enhancing state-of-the-art semantic web standards and technologies. It is focused on practical and robust applications to solve specific questions in drug discovery research. OPS is intended to facilitate improvements in drug discovery in academia and industry and to support open innovation and in-house non-public drug discovery research. This paper lays out the challenges and how the Open PHACTS project is hoping to address these challenges technically and socially.
  Drug discovery today 06/2012; · 6.63 Impact Factor
• Book: Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation

  M Elyashberg, A Williams, K Blinov
  01/2011; Royal Society of Chemistry.
• Source

  Available from: Antony John Williams

  Article: Chemistry in your kitchen

  A Williams
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  ABSTRACT: At a time where there appears to be a decline in the interest in physical sciences it is essential that children are encouraged and excited to investigate science by our teachers, mentors and science geeks. Theodore Gray is one such science geek. His writings and visual extravaganzas, in both photographic and video format, have been exciting people, young and old, for a number of years. His Mad Science book very successfully continues the trend.
  Nature Chemistry 01/2010; 2:341-341. · 20.52 Impact Factor
• Article: The application of empirical methods of (13)C NMR chemical shift prediction as a filter for determining possible relative stereochemistry.

  Mikhail E Elyashberg, Kirill A Blinov, Antony J Williams
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  ABSTRACT: The reliable determination of stereocenters contained within chemical structures usually requires utilization of NMR data, chemical derivatization, molecular modeling, quantum-mechanical (QM) calculations and, if available, X-ray analysis. In this article, we show that the number of stereoisomers which need to be thoroughly verified, can be significantly reduced by the application of NMR chemical shift calculation to the full stereoisomer set of possibilities using a fragmental approach based on HOSE codes. The applicability of this suggested method is illustrated using experimental data published for a series of complex chemical structures.
  Magnetic Resonance in Chemistry 03/2009; 47(4):333-41. · 1.44 Impact Factor
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  Available from: Antony John Williams

  Article: Public chemical compound databases.

  Anthony J Williams
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  ABSTRACT: The internet has rapidly become the first port of call for all information searches. The increasing array of chemistry-related resources that are now available provides chemists with a direct path to the information that was previously accessed via library services and was limited by commercial and costly resources. The diversity of the information that can be accessed online is expanding at a dramatic rate, and the support for publicly available resources offers significant opportunities in terms of the benefits to science and society. While the data online do not generally meet the quality standards of manually curated sources, there are efforts underway to gather scientists together and 'crowdsource' an improvement in the quality of the available data. This review discusses the types of public compound databases that are available online and provides a series of examples. Focus is also given to the benefits and disruptions associated with the increased availability of such data and the integration of technologies to data mine this information.
  Current opinion in drug discovery & development 06/2008; 11(3):393-404. · 4.20 Impact Factor