Epernicus: Antony J Williams, Ph.D.

Antony J Williams, Ph.D.

Positions:
president

ChemZoo Inc.

president

ChemConnector
Degrees:

Ph.D., Chemistry, Royal Holloway University of London (Egham, UK)

B.Sc., Chemistry, University of Liverpool (Liverpool, UK)
Past Advisors:

Keith F Preston (as Post Doctoral Fellow)

Duncan G Gillies (as Graduate Student - Ph.D.)

Les Sutcliffe (as Undergraduate Student)
Research:
Providing access to chemistry-related data via the internet using a strong background in cheminformatics

We are working to build a structure-centric community for chemists online. This will allow chemists to research information, data and knowledge of chemical compounds appropriate to their own research. AT present we have aggregated over 21.5 million compounds from over 150 data sources and have delivered a platform to deposit, search, enhance and curate the associated data.
Honors:
1988 Bourne Medal, University of London

1984 Morris Ranger Scholarship, University of Liverpool

Communities:

Antony Williams's Genealogy

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Antony Williams's Publications (25)

A perspective of publicly accessible/open-access chemistry databases.
Williams AJ

Drug discovery today. 2008 Jun;13(11-12):495-501
Internet-based tools for communication and collaboration in chemistry.
Williams AJ

Drug discovery today. 2008 Jun;13(11-12):502-6
Using indirect covariance spectra to identify artifact responses in unsymmetrical indirect covariance calculated spectra.
Martin GE, Hilton BD, Blinov KA, Williams AJ

Magnetic resonance in chemistry : MRC. 2008 Feb;46(2):138-43
Toward more reliable 13C and 1H chemical shift prediction: a systematic comparison of neural-network and least-squares regression based approaches.
Smurnyy YD, Blinov KA, Churanova TS, Elyashberg ME, Williams AJ

Journal of chemical information and modeling. 2008 Jan;48(1):128-34
(13)C-(15)N correlation via unsymmetrical indirect covariance NMR: application to vinblastine.
Martin GE, Hilton BD, Blinov KA, Williams AJ

Journal of natural products. 2007 Dec;70(12):1966-70
Major structural components in freshwater dissolved organic matter.
Lam B, Baer A, Alaee M, Lefebvre B, Moser A, Williams A, Simpson AJ

Environmental science & technology. 2007 Dec 15;41(24):8240-7
Application of unsymmetrical indirect covariance NMR methods to the computation of the (13)C <--> (15)N HSQC-IMPEACH and (13)C <--> (15)N HMBC-IMPEACH correlation spectra.
Martin GE, Hilton BD, Irish PA, Blinov KA, Williams AJ

Magnetic resonance in chemistry : MRC. 2007 Oct;45(10):883-8
Automated structure verification based on a combination of 1D (1)H NMR and 2D (1)H - (13)C HSQC spectra.
Golotvin SS, Vodopianov E, Pol R, Lefebvre BA, Williams AJ, Rutkowske RD, Spitzer TD

Magnetic resonance in chemistry : MRC. 2007 Oct;45(10):803-13
Using unsymmetrical indirect covariance processing to calculate GHSQC-COSY spectra.
Martin GE, Hilton BD, Irish PA, Blinov KA, Williams AJ

Journal of natural products. 2007 Sep;70(9):1393-6
Utilizing unsymmetrical indirect covariance processing to define 15N- 13C connectivity networks.
Martin GE, Irish PA, Hilton BD, Blinov KA, Williams AJ

Magnetic resonance in chemistry : MRC. 2007 Aug;45(8):624-7
The use of unsymmetrical indirect covariance NMR methods to obtain the equivalent of HSQC-NOESY data.
Blinov KA, Williams AJ, Hilton BD, Irish PA, Martin GE

Magnetic resonance in chemistry : MRC. 2007 Jul;45(7):544-6
Fuzzy structure generation: a new efficient tool for Computer-Aided Structure Elucidation (CASE).
Elyashberg ME, Blinov KA, Molodtsov SG, Williams AJ, Martin GE

Journal of chemical information and modeling. 2007 May-Jun;47(3):1053-66
Automated structure verification based on 1H NMR prediction.
Golotvin SS, Vodopianov E, Lefebvre BA, Williams AJ, Spitzer TD

Magnetic resonance in chemistry : MRC. 2006 May;44(5):524-38
Computational approaches to the prediction of blood-brain barrier permeability: A comparative analysis of central nervous system drugs versus secretase inhibitors for Alzheimer's disease.
Rishton GM, LaBonte K, Williams AJ, Kassam K, Kolovanov E

Current opinion in drug discovery & development. 2006 May;9(3):303-13
The application of 1H high-resolution magic-angle spinning NMR for the study of clay-organic associations in natural and synthetic complexes.
Simpson AJ, Simpson MJ, Kingery WL, Lefebvre BA, Moser A, Williams AJ, Kvasha M, Kelleher BP

Langmuir : the ACS journal of surfaces and colloids. 2006 May 9;22(10):4498-503
Assessing the organic composition of urban surface films using nuclear magnetic resonance spectroscopy.
Simpson AJ, Lam B, Diamond ML, Donaldson DJ, Lefebvre BA, Moser AQ, Williams AJ, Larin NI, Kvasha MP

Chemosphere. 2006 Mar;63(1):142-52
Long-range carbon-carbon connectivity via unsymmetrical indirect covariance processing of HSQC and HMBC NMR data.
Blinov KA, Larin NI, Williams AJ, Zell M, Martin GE

Magnetic resonance in chemistry : MRC. 2006 Feb;44(2):107-9
Are deterministic expert systems for computer-assisted structure elucidation obsolete?
Elyashberg ME, Blinov KA, Williams AJ, Molodtsov SG, Martin GE

Journal of chemical information and modeling. 2006 Jul-Aug;46(4):1643-56
Analysis and elimination of artifacts in indirect covariance NMR spectra via unsymmetrical processing.
Blinov KA, Larin NI, Kvasha MP, Moser A, Williams AJ, Martin GE

Magnetic resonance in chemistry : MRC. 2005 Dec;43(12):999-1007
Automated structure elucidation of two unexpected products in a reaction of an alpha,beta-unsaturated pyruvate.
Sharman GJ, Jones IC, Parnell MP, Willis MC, Mahon MF, Carlson DV, Williams A, Elyashberg M, Blinov K, Molodtsov SG

Magnetic resonance in chemistry : MRC. 2004 Jul;42(7):567-72
Identifying residues in natural organic matter through spectral prediction and pattern matching of 2D NMR datasets.
Simpson AJ, Lefebvre B, Moser A, Williams A, Larin N, Kvasha M, Kingery WL, Kelleher B

Magnetic resonance in chemistry : MRC. 2004 Jan;42(1):14-22
Structure elucidation from 2D NMR spectra using the StrucEluc expert system: detection and removal of contradictions in the data.
Molodtsov SG, Elyashberg ME, Blinov KA, Williams AJ, Martirosian EE, Martin GE, Lefebvre B

Journal of chemical information and computer sciences. 2004 Sep-Oct;44(5):1737-51
Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments.
Elyashberg ME, Blinov KA, Williams AJ, Molodtsov SG, Martin GE, Martirosian ER

Journal of chemical information and computer sciences. 2004 May-Jun;44(3):771-92
Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data.
Elyashberg ME, Blinov KA, Williams AJ, Martirosian ER, Molodtsov SG

Journal of natural products. 2002 May;65(5):693-703
Applications of computer software for the interpretation and management of mass spectrometry data in pharmaceutical science.
Williams A

Current topics in medicinal chemistry. 2002 Jan;2(1):99-107

One Figure

Long-range connectivity information extracted from the aliphatic portion of the unsymmetrical indirect covariance processed GHSQC-TOCSY-HMBC spectrum of strychnine derived by co-processing 16 msec IDR-GHSQC-TOCSY and 6 Hz optimized GHMBC spectra.

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