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16 results
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Generation and display of activity-weighted chemical hyperstructures.
Brown N, Willett P, Wilton DJ, Lewis RA. Brown N, et al. Among authors: wilton dj. J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):288-97. doi: 10.1021/ci0103875. J Chem Inf Comput Sci. 2003. PMID: 12546564
Comparison of ranking methods for virtual screening in lead-discovery programs.
Wilton D, Willett P, Lawson K, Mullier G. Wilton D, et al. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):469-74. doi: 10.1021/ci025586i. J Chem Inf Comput Sci. 2003. PMID: 12653510
Prediction of ion channel activity using binary kernel discrimination.
Willett P, Wilton D, Hartzoulakis B, Tang R, Ford J, Madge D. Willett P, et al. J Chem Inf Model. 2007 Sep-Oct;47(5):1961-6. doi: 10.1021/ci700087v. Epub 2007 Jul 10. J Chem Inf Model. 2007. PMID: 17622131
Virtual screening using binary kernel discrimination: effect of noisy training data and the optimization of performance.
Chen B, Harrison RF, Pasupa K, Willett P, Wilton DJ, Wood DJ, Lewell XQ. Chen B, et al. Among authors: wilton dj. J Chem Inf Model. 2006 Mar-Apr;46(2):478-86. doi: 10.1021/ci0505426. J Chem Inf Model. 2006. PMID: 16562975
Virtual screening using binary kernel discrimination: analysis of pesticide data.
Wilton DJ, Harrison RF, Willett P, Delaney J, Lawson K, Mullier G. Wilton DJ, et al. J Chem Inf Model. 2006 Mar-Apr;46(2):471-7. doi: 10.1021/ci050397w. J Chem Inf Model. 2006. PMID: 16562974
New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E, Schuffenhauer A. Hert J, et al. Among authors: wilton dj. J Chem Inf Model. 2006 Mar-Apr;46(2):462-70. doi: 10.1021/ci050348j. J Chem Inf Model. 2006. PMID: 16562973
Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E, Schuffenhauer A. Hert J, et al. Among authors: wilton dj. J Med Chem. 2005 Nov 3;48(22):7049-54. doi: 10.1021/jm050316n. J Med Chem. 2005. PMID: 16250664
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E, Schuffenhauer A. Hert J, et al. Among authors: wilton dj. Org Biomol Chem. 2004 Nov 21;2(22):3256-66. doi: 10.1039/B409865J. Epub 2004 Sep 29. Org Biomol Chem. 2004. PMID: 15534703
Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E, Schuffenhauer A. Hert J, et al. Among authors: wilton dj. J Chem Inf Comput Sci. 2004 May-Jun;44(3):1177-85. doi: 10.1021/ci034231b. J Chem Inf Comput Sci. 2004. PMID: 15154787 Review.
Comparison of algorithms for dissimilarity-based compound selection.
Snarey M, Terrett NK, Willett P, Wilton DJ. Snarey M, et al. Among authors: wilton dj. J Mol Graph Model. 1997 Dec;15(6):372-85. doi: 10.1016/s1093-3263(98)00008-4. J Mol Graph Model. 1997. PMID: 9704300
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