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Matthew Segall | Researchclopedia

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Matthew Segall

Optibrium (United Kingdom)ORCID

97

Works

30,263

Citations

30

h-index

50

i10-index

Research Topics

Computational Drug Discovery Methods Pharmacogenetics and Drug Metabolism Analytical Chemistry and Chromatography

Affiliations

Durham University2005–2005

University of Cambridge1996–2010

Fritz Haber Institute of the Max Planck Society2007–2007

Royal Hallamshire Hospital1998–1998

Weatherford College2014–2014

Top Works

First principles methods using CASTEP

Stewart J. Clark,Matthew Segall,et al.

200514,020 citations

Machine Learning in Materials Science

Metabolomics and Mass Spectrometry Studies

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall,Philip J. D. Lindan,et al.

200211,647 citations

Population analysis of plane-wave electronic structure calculations of bulk materials

Matthew Segall,Rajiv Shah,et al.

19961,262 citations

Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation

Victor Milman,Keith Refson,et al.

2010325 citations

Predicting ADME properties in silico: methods and models

Darko Butina,Matthew Segall,et al.

2002286 citations

Population analysis in plane wave electronic structure calculations

Matthew Segall,Chris J. Pickard,et al.

1996268 citations

Population analysis in plane wave electronic structure calculations

Matthew Segall,Chris J. Pickard,et al.

1996259 citations

Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties

Olga Obrezanova,Gábor Cśanyi,et al.

2007211 citations

Addressing toxicity risk when designing and selecting compounds in early drug discovery

Matthew Segall,Chris Barber

2014169 citations