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Open Access research that is tackling the climate emergency...

Addressing the energy challenge confronting society is a strategic research theme for Strathclyde. Researchers from across the institution, spanning multiple disciplines, are therefore working together to understand ways of reducing the environmental impacts of energy use, improving energy efficiency, coping with declining fossil fuel supplies, managing an ageing energy infrastructure, and devising policy or economic levers to achieve higher penetration of renewable energy systems and technologies. Strathprints makes this scholarly research content available Open Access thereby ensuring results are available to everyone in order meet the global climate challenge.

Explore some of this Open Access research from the departments of Mechanical & Aerospace Engineering, Electronic & Electrical Engineering, Civil & Environmental Engineering, Naval Architecture, Ocean & Marine Engineering, Economics, Entrepreneurship and the School of Government & Public Policy.

Or explore all of Strathclyde's Open Access research...

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Number of items: 11.

Article

Conn, Jonathan G. M. and Carter, James W. and Conn, Justin J. A. and Subramanian, Vigneshwari and Baxter, Andrew and Engkvist, Ola and Llinas, Antonio and Ratkova, Ekaterina L. and Pickett, Stephen D. and McDonagh, James L and Palmer, David S. (2023) Blinded predictions and post-hoc analysis of the second solubility challenge data : exploring training data and feature set selection for machine and deep learning models. Journal of Chemical Information and Modeling. ISSN 1549-9596 (In Press)

Cordina, Robert J. and Smith, Beccy and Tuttle, Tell (2022) Rapid automated quantification of triacylglyceride crystallinity in molecular dynamics simulations. Journal of Chemical Information and Modeling, 62 (22). pp. 5601-5606. ISSN 1549-9596

Subramanian, Vigneshwari and Ratkova, Ekaterina and Palmer, David S. and Engkvist, Ola and Fedorov, Maxim V. and Llinas, Antonio (2020) Multi-solvent models for solvation free energy predictions using 3D-RISM hydration thermodynamic descriptors. Journal of Chemical Information and Modeling, 60 (6). pp. 2977-2988. 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, 60 (3). pp. 1528-1539. ISSN 1549-9596

Barrera, Maria Cecilia and Jorge, Miguel (2020) A polarization-consistent model for alcohols to predict solvation free energies. Journal of Chemical Information and Modeling, 60 (3). pp. 1352-1367. ISSN 1549-9596

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

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

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.

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.

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.

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 7 14:00:29 2023 GMT.