Research output
- 12 Article
- 12 results
Search results
-
2017
Can human experts predict solubility better than computers?
Boobier, S., Osbourn, A. & Mitchell, J. B. O., 13 Dec 2017, In: Journal of Cheminformatics. 9, 63Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2015
A note on utilising binary features as ligand descriptors
Mussa, H. Y., Mitchell, J. B. O. & Glen, R., 1 Dec 2015, In: Journal of Cheminformatics. 7, 58.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Enzyme mechanism prediction: a template matching problem on InterPro signature subspaces
Mussa, H. Y., De Ferrari, L. & Mitchell, J. B. O., 3 Dec 2015, In: BMC Research Notes. 8, 744.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
The Parzen Window method: in terms of two vectors and one matrix
Mussa, H. Y., Mitchell, J. B. O. & Afzal, A., 1 Oct 2015, In: Pattern Recognition Letters. 63, p. 30-35Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Verifying the fully “Laplacianised” posterior Naïve Bayesian approach and more
Mussa, H. Y., Marcus, D., Mitchell, J. B. O. & Glen, R., 12 Jun 2015, In: Journal of Cheminformatics. 7, 27Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Why do sequence signatures predict enzyme mechanism? Homology versus Chemistry
Beattie, K., De Ferrari, L. & Mitchell, J. B. O., 29 Dec 2015, In: Evolutionary Bioinformatics. 2015, 11, p. 267-274Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2014
From sequence to enzyme mechanism using multi-label machine learning
De Ferrari, L. & Mitchell, J. B. O., 19 May 2014, In: BMC Bioinformatics. 13 p., 150.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Machine learning methods in chemoinformatics
Mitchell, J. B. O., 24 Feb 2014, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 4, 5, p. 468–481Research output: Contribution to journal › Article › peer-review
Open AccessFile -
The natural history of biocatalytic mechanisms
Nath, N., Mitchell, J. B. O. & Caetano-Anolles, G., 29 May 2014, In: PLoS Computational Biology. 10, 5, 14 p., e1003642.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike molecules
McDonagh, J., Nath, N., De Ferrari, L., van Mourik, T. & Mitchell, J. B. O., 24 Feb 2014, In: Journal of Chemical Information and Modeling. 54, 3, p. 844-856 13 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2013
4273π: bioinformatics education on low cost ARM hardware
Barker, D., Ferrier, D. E. K., Holland, P. W. H., Mitchell, J. B. O., Plaisier, H., Ritchie, M. G. & Smart, S. D., 12 Aug 2013, In: BMC Bioinformatics. 14, 6 p., 243.Research output: Contribution to journal › Article › peer-review
Open AccessFile -
2012
Enzyme Informatics
Alderson, R. G., De Ferrari, L., Mavridis, L., McDonagh, J., Mitchell, J. B. O. & Nath, N., 2012, In: Current Topics in Medicinal Chemistry. 12, 17, p. 1911 1923 p.Research output: Contribution to journal › Article › peer-review