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Open Access research that explores socio-technical phenomena & evolving information systems & behaviours...

Strathprints makes available scholarly Open Access content by researchers within the Department of Computer & Information Sciences working as part of the Strathclyde iSchool Research Group (SiRG). The SiRG specialises in understanding how people search for information and explores interactive search tools that support their information seeking and retrieval tasks. This research work also includes investigations into information behaviour, how users engage with information and the legal and ethical issues arising from information use.

Explore the Open Access research by the SiRG, or theDepartment of Computer & Information Sciences more generally. Or explore all of Strathclyde's Open Access research...

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Group by: Publication Date | Item type | No Grouping
Jump to: 2020 | 2018 | 2016 | 2008 | 2007 | 2006 | 2005
Number of items: 8.

2020

Barrera, Maria Cecilia and Jorge, Miguel (2020) A polarization-consistent model for alcohols to predict solvation free energies. Journal of Chemical Information and Modeling. ISSN 1549-9596

Fusani, Lucia and Palmer, David S. and Somers, Donald O. and Wall, Ian D. (2020) Exploring ligand stability in protein crystal structures using binding pose metadynamics. Journal of Chemical Information and Modeling. ISSN 1549-9596

2018

Ansari, Samiul M. and Palmer, David S. (2018) Comparative molecular field analysis using molecular integral equation theory. Journal of Chemical Information and Modeling. ISSN 1549-9596

2016

McDonagh, James and Palmer, David S. and van Mourik, Tanja and Mitchell, John B.O. (2016) Are the sublimation thermodynamics of organic molecules predictable? Journal of Chemical Information and Modeling. ISSN 1549-9596

2008

Hughes, L. D. and Palmer, D. S. and Nigsch, F. and Mitchell, J. B. (2008) Why are some properties more difficult to predict than others? A study of QSPR models of solubility, melting point, and Log P. Journal of Chemical Information and Modeling, 48 (1). pp. 220-232.

2007

Palmer, D. S. and O'Boyle, N. M. and Glen, R. C. and Mitchell, J. B. (2007) Random forest models to predict aqueous solubility. Journal of Chemical Information and Modeling, 47 (1). pp. 150-158.

2006

Cannon, E. O. and Bender, A. and Palmer, D. S. and Mitchell, J. B. (2006) Chemoinformatics-based classification of prohibited substances employed for doping in sport. Journal of Chemical Information and Modeling, 46 (6). pp. 2369-2380.

2005

Anthony, N.G. and Huchet, G. and Johnston, B.F. and Parkinson, B.F. and Suckling, C.J. and Waigh, R.D. and Mackay, S.P. (2005) In Silico Footprinting of Ligands Binding to the Minor Groove of DNA. Journal of Chemical Information and Modeling, 45 (6). pp. 1896-1907. ISSN 1549-9596

This list was generated on Tue Feb 18 11:46:54 2020 GMT.