Items where authors include "Holliday, J.D."
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Duesbury, E., Holliday, J.D. and Willett, P. orcid.org/0000-0003-4591-7173 (2017) Maximum Common Subgraph Isomorphism Algorithms. MATCH Communications in Mathematical and in Computer Chemistry, 77 (2). pp. 213-232. ISSN 0340-6253
Franco, P., Porta, N., Holliday, J.D. et al. (1 more author) (2017) Molecular similarity considerations in the licensing of orphan drugs. Drug Discovery Today, 22 (2). pp. 377-381. ISSN 1359-6446
Franco, P., Porta, N., Holliday, J.D. et al. (1 more author) (2014) The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation. Journal of Cheminformatics, 6 (1). pp. 1-10.
Arif, S.M., Holliday, J.D. and Willett, P. (2013) Comparison of chemical similarity measures using different numbers of query structures. Journal of Information Science, 39 (1). 7 - 14.
Holliday, J.D., Upton, C., Thompson, A. et al. (4 more authors) (2013) Geographical analysis of the vernacular. Journal of Information Science, 39 (1). 26 - 35.
Chu, C.W., Holliday, J.D. and Willett, P. (2012) Combining multiple classifications of chemical structures using consensus clustering. Bioorganic & Medicinal Chemistry Letters, 20 (18). 5366 - 5371.
Holliday, J.D., Willett, P. and Xiang, H. (2012) Interactions Between Weighting Scheme and Similarity Coefficient in similarity-based virtual screening. International Journal of Chemoinformatics and Chemical Engineering, 2 (2). pp. 28-41. ISSN 2155-4110
Todeschini, R., Consonni, V., Xiang, H. et al. (3 more authors) (2012) Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data sets. Journal of Chemical Information and Modeling, 52 (11). p. 2884. ISSN 1549-9596
Gardiner, E.J., Holliday, J.D., O'Dowd, C. et al. (1 more author) (2011) Effectiveness of 2D fingerprints for scaffold hopping. Future Medicinal Chemistry, 3 (4). 405 - 414. ISSN 1756-8919
Holliday, J.D., Kanoulas, E., Malim, N. et al. (1 more author) (2011) Multiple search methods for similarity-based virtual screening: analysis of search overlap and precision. Journal of Cheminformatics , 3 (29). ISSN 1758-2946
Arif, S.M., Holliday, J.D. and Willett, P. (2010) Inverse frequency weighting of fragments for similarity-based virtual screening. Journal of Chemical Information and Modeling , 50 (8). pp. 1340-1349. ISSN 1549-9596
Clark, R.D., Shepphird, J.K. and Holliday, J.D. (2009) The effect of structural redundancy in validation sets on virtual screening performance. Journal of Chemometrics, 23 (9-10). 471 - 478. ISSN 0886-9383
Arif, S., Holliday, J.D. and Willett, P. (2009) Analysis and use of fragment-occurrence data in similarity-based virtual screening. Journal of Computer Aided Molecular Design, 23 (9). pp. 655-668. ISSN 0920-654X
Al Khalifa, A., Haranczyk, M. and Holliday, J.D. (2009) Comparison of nonbinary similarity coefficients for similarity searching, clustering and compound selection. Journal of Chemical Information and Modeling, 49 (5). pp. 1193-1201. ISSN 1549-9596
Chu, C.W., Holliday, J.D. and Willett, P. (2009) Effect of data standardization on chemical clustering and similarity searching. Journal of Chemical Information and Modeling, 49 (2). pp. 155-161. ISSN 1549-9596
Gardiner, E.J., Gillet, V.J., Haranczyk, M. et al. (5 more authors) (2009) Turbo similarity searching: effect of fingerprint and dataset on virtual-screening performance. Statistical Analysis and Data Mining, 2 (2). 103 - 114. ISSN 1932-1864
Chen, J., Holliday, J.D. and Bradshaw, J. (2009) A machine learning approach to weighting schemes in the data fusion of similarity coefficients. Journal of Chemical Information and Modeling, 49 (2). pp. 185-194. ISSN 1549-9596
Haranczyk, M., Holliday, J.D., Willett, P. et al. (1 more author) (2008) Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine. Journal of Computational Chemistry, 29 (8). pp. 1277-1291. ISSN 0192-8651
Holliday, J.D. and Willett, P. (2008) The influence of the DARC project on chemoinformatics research at the University of Sheffield. Actualité Chimique (L') (320-21). 45 - 50. ISSN 0151-9093
Haranczyk, M. and Holliday, J.D. (2008) Comparison of similarity coefficients for clustering and compound selection. Journal of Chemical Information and Modeling, 48 (3). pp. 498-508. ISSN 1549-9596
Thompson, S.J., Hattotuwagama, C.K., Holliday, J.D. et al. (1 more author) (2006) On the hydrophobicity of peptides: comparing empirical predictions of peptide log P values. Bioinformation, 1 (7). pp. 237-241. ISSN 0973-2063
Holliday, J.D., Thompson, S.J., Hattotuwagama, C.K. et al. (1 more author) (2006) On the hydrophobicity of peptides: comparing empirical prediction of peptide log P values. Bioinformation, 1 (7). 237 - 241.
Hirons, L., Holliday, J.D., Jelfs, S.P. et al. (2 more authors) (2005) Use of the R-group descriptor for alignment-free QSAR. QSAR & Combinatorial Science, 24 (5). pp. 611-619. ISSN 1611-0218
Holliday, J.D., Salim, N. and Willett, P. (2005) On the magnitudes of coefficient values in the calculation of chemical similarity and dissimilarity. American Chemical Society Symposium Series, 894. pp. 77-95.
Holliday, J.D., Rodgers, S.L., Willett, P. et al. (4 more authors) (2004) Clustering files of chemical structures using the fuzzy k-means clustering method. Journal of Chemical Information and Computer Sciences, 44 (3). pp. 894-902. ISSN 0095-2338
Salim, N., Holliday, J.D. and Willett, P. (2004) On the significance of topological-indices based non-binary molecular similarity measures. Sains Malaysiana, 33 (2). pp. 157-172. ISSN 0126-6039
Bishop, N., Gillet, V.J., Holliday, J.D. et al. (1 more author) (2003) Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis. Journal of Information Science, 29 (4). pp. 249-267. ISSN 0165-5515
Holliday, J.D., Jelfs, S.P., Willett, P. et al. (1 more author) (2003) Calculation of inter-substituent similarity using R-group descriptors. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 406-411. ISSN 0095-2338
Ashton, M., Barnard, J., Casset, F. et al. (6 more authors) (2003) Identification of diverse database subsets using property-based and fragment-based molecular descriptions. Quantitative Structure-Activity Relationships, 21 (6). pp. 598-604.
Holliday, J.D., Salim, N., Whittle, M. et al. (1 more author) (2003) Analysis and display of the size dependence of chemical similarity coefficients. Journal of Chemical Information and Computer Sciences, 43 (3). pp. 819-828. ISSN 0095-2338
Salim, N., Holliday, J.D. and Willett, P. (2003) Combination of fingerprint-based similarity coefficients using data fusion. Journal of Chemical Information and Computer Sciences, 43 (2). pp. 435-442. ISSN 0095-2338
Holliday, J.D., Hu, C.-Y. and Willett, P. (2002) Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings. Combinatorial Chemistry and High Throughput Screening, 5 (2). pp. 155-166. ISSN 1386-2073
Edgar, S.J., Holliday, J.D. and Willett, P. (2000) Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures. Journal of Molecular Graphics and Modelling, 18 (4-5). pp. 343-357. ISSN 1093-3263
Gardiner, E.J., Holliday, J.D., Willett, P. et al. (2 more authors) (2000) Selection of reagents for combinatorial synthesis using clique detection. Quantitative Structure-Activity Relationships, 17 (3). pp. 232-236. ISSN 1611-020X
Holliday, J.D. and Willett, P. (1997) Using a genetic algorithm to identify common structural features in sets of ligands. Journal of Molecular Graphics and Modelling, 15 (4). pp. 221-232. ISSN 1093-3263
Holliday, J.D. and Willett, P. (1996) Definitions of "dissimilarity" for dissimilarity-based compound selection. Journal of Biomolecular Screening, 1 (3). pp. 145-151. ISSN 1087-0571
Lynch, M.F. and Holliday, J.D. (1996) The Sheffield generic structures projecta retrospective review. Journal of Chemical Information and Computer Sciences, 36 (5). pp. 930-936. ISSN 0095-2338
Holliday, J.D. and Lynch, M.F. (1995) Computer storage and retrieval of generic chemical structures in patents, part 16: the refined search: An algorithm for matching components of generic chemical structures at the atom-bond level. Journal of Chemical Information and Computer Sciences, 35 (1). pp. 1-7. ISSN 0095-2338
Holliday, J.D. and Lynch, M.F. (1995) Computer storage and retrieval of generic chemical structures in patents, part 17: evaluation of the refined search. Journal of Chemical Information and Computer Sciences, 35 (4). pp. 659-662. ISSN 0095-2338
Holliday, J.D., Ranade, S.S. and Willett, P. (1995) A fast algorithm for selecting sets of dissimilar molecules from large chemical databases. Quantitative Structure-Activity Relationships, 14 (6). pp. 501-506. ISSN 1611-020X
Holliday, J.D., Downs, G.M., Gillet, V.J. et al. (2 more authors) (1994) Evaluation of the screening stages of the Sheffield research project on computer Storage and retrieval of generic chemical structures in patents. Journal of Chemical Information and Computer Sciences, 34 (1). pp. 39-46. ISSN 0095-2338
Holliday, J.D., Downs, J.M., Gillet, V.J. et al. (1 more author) (1993) Computer storage and retrieval of generic chemical structures in patents, part 15: generation of topological fragment descriptors from nontopological representations of generic structure components. Journal of Chemical Information and Computer Sciences, 33 (3). pp. 369-377. ISSN 0095-2338
Holliday, J.D., Downs, G.M., Gillet, V.J. et al. (1 more author) (1992) Computer storage and retrieval of generic chemical structures in patents, part 14: fragment generation from generic structures. Journal of Chemical Information and Computer Sciences, 32 (5). pp. 453-462. ISSN 0095-2338
Dethlefsen, W., Lynch, M.F., Gillet, V.J. et al. (3 more authors) (1991) Computer storage and retrieval of generic chemical structures in patents, part 11: theoretical aspects of the use of structure languages in a retrieval system. Journal of Chemical Information and Computer Sciences, 31 (2). pp. 233-253. ISSN 0095-2338
Dethlefsen, W., Lynch, M.F., Gillet, V.J. et al. (3 more authors) (1991) Computer storage and retrieval of generic chemical structures in patents, part 12: principles of search operations involving parameter lists: matching-relations, user-defined match levels, and transition from the reduced graph search to the refined search. Journal of Chemical Information and Computer Sciences, 31 (2). pp. 253-260. ISSN 0095-2338
Gillet, V.J., Downs, G.M., Holliday, J.D. et al. (2 more authors) (1991) Computer storage and retrieval of generic chemical structures in patents, part 13: reduced graph generation. Journal of Chemical Information and Computer Sciences, 31 (2). pp. 260-270. ISSN 0095-2338
Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Computer storage and retrieval of generic chemical structures in patents, part 10: assignment and logical bubble-up of ring screens for structurally explicit generics. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 215-222. ISSN 0095-2338
Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Computer storage and retrieval of generic chemical structures in patents, part 9: an algorithm to find the extended set of smallest rings in structurally explicit generics. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 207-214. ISSN 0095-2338
Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Review of ring perception algorithms for chemical graphs. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 172-187. ISSN 0095-2338
Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1989) Theoretical aspects of ring perception and development of the extended set of smallest rings concept. Journal of Chemical Information and Computer Sciences, 29 (3). pp. 187-206. ISSN 0095-2338
Book Section
Holliday, J.D. and Willett, P. (2011) Representation and searching of chemical-structure information in patents. In: Lupu, M. and Tait, J.I., (eds.) Current Challenges in Patent Information Retrieval. Springer , Berlin , pp. 345-357. ISBN 9783642192302
Gillet, V.J., Downs, J.M., Holliday, J.D. et al. (2 more authors) (1993) Searching a full generics database. In: Warr, W.A., (ed.) Chemical Structures 2: The international language of chemistry. Springer Verlag , Berlin , pp. 88-102.
Downs, G.M., Gillet, V.J., Holliday, J.D. et al. (1 more author) (1988) The Sheffield University generic chemical structures project - a review of progress and outstanding problems. In: Warr, W.A., (ed.) Chemical Structures: The international language of chemistry. Springer Verlag , Berlin , pp. 151-167.
Conference or Workshop Item
Holliday, J.D., Al Khalifa, A., Arif, S. et al. (3 more authors) (2009) Recent studies for optimising similarity-based virtual screening. In: Optimizing Drug Design Workshop, July 2009, Lorentz Center, Leiden, The Netherlands. (Unpublished)
Holliday, J.D. (2005) Choosing the right similarity measure. In: Daylight European User Group Meeting, October 2005, Cambridge Garden Moat House, Cambridge. (Unpublished)
Holliday, J.D., Salim, N. and Willett, P. (2002) Combining similarity coefficients using data fusion. In: UK Tripos User Group Meeting, Febuary 2002, Whittlebury Hall, Northamptonshire. (Unpublished)
Holliday, J.D. and Willett, P. (1996) New techniques for dissimilarity-based compound selection. In: Fourth International Conference on Chemical Structures, June 1996, Leeuwenhorst Congress Centre, Noordwijkerhout, The Netherlands. (Unpublished)
Holliday, J.D., Downs, G.M., Gillet, V.J. et al. (2 more authors) (1993) An evaluation of the screening stage of the Sheffield research project on computer storage and retrieval of generic chemical structures in patents. In: Third International Conference on Chemical Structures, June 1993, Leeuwenhorst Congress Centre, Noordwijkerhout, The Netherlands. (Unpublished)
Proceedings Paper
Arif, S.M., Hert, J., Holliday, J.D. et al. (2 more authors) (2009) Enhancing the effectiveness of fingerprint-based virtual screening: use of turbo similarity searching and of fragment frequencies of occurrence. In: Kadirkamanathan, V., Sanguinetti, G., Girolami, M., Niranjan, M. and Noirel, J., (eds.) Pattern Recognition in Bioinformatics: Proceedings. 4th IAPR International Conference on Pattern Recognition, September 7-9, 2009, Sheffield, UK. , 404 - 414.
Lynch, M.F., Downs, G.M., Gillet, V.J. et al. (2 more authors) (1989) Generic chemical structures in patents - a evaluation of the Sheffield University research work. In: Collier, H.R., (ed.) Proceedings of the 1989 International Chemical Information Conference Montreux. International Chemical Information Conference. Infonortics Ltd. , Calne , pp. 161-173.