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167 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: willett p. J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):288-97. doi: 10.1021/ci0103875. J Chem Inf Comput Sci. 2003. PMID: 12546564
Similarity searching in databases of flexible 3D structures using smoothed bounded distance matrices.
Raymond JW, Willett P. Raymond JW, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 May-Jun;43(3):908-16. doi: 10.1021/ci034002p. J Chem Inf Comput Sci. 2003. PMID: 12767149
Analysis and display of the size dependence of chemical similarity coefficients.
Holliday JD, Salim N, Whittle M, Willett P. Holliday JD, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 May-Jun;43(3):819-28. doi: 10.1021/ci034001x. J Chem Inf Comput Sci. 2003. PMID: 12767139
Comparison of ranking methods for virtual screening in lead-discovery programs.
Wilton D, Willett P, Lawson K, Mullier G. Wilton D, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):469-74. doi: 10.1021/ci025586i. J Chem Inf Comput Sci. 2003. PMID: 12653510
CLIP: similarity searching of 3D databases using clique detection.
Rhodes N, Willett P, Calvet A, Dunbar JB, Humblet C. Rhodes N, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):443-8. doi: 10.1021/ci025605o. J Chem Inf Comput Sci. 2003. PMID: 12653507
Combination of fingerprint-based similarity coefficients using data fusion.
Salim N, Holliday J, Willett P. Salim N, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):435-42. doi: 10.1021/ci025596j. J Chem Inf Comput Sci. 2003. PMID: 12653506
Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm.
Raymond JW, Gardiner EJ, Willett P. Raymond JW, et al. Among authors: willett p. J Chem Inf Comput Sci. 2002 Mar-Apr;42(2):305-16. doi: 10.1021/ci010381f. J Chem Inf Comput Sci. 2002. PMID: 11911700
Clustering files of chemical structures using the fuzzy k-means clustering method.
Holliday JD, Rodgers SL, Willett P, Chen MY, Mahfouf M, Lawson K, Mullier G. Holliday JD, et al. Among authors: willett p. J Chem Inf Comput Sci. 2004 May-Jun;44(3):894-902. doi: 10.1021/ci0342674. J Chem Inf Comput Sci. 2004. PMID: 15154754
Searching for patterns of amino acids in 3D protein structures.
Spriggs RV, Artymiuk PJ, Willett P. Spriggs RV, et al. Among authors: willett p. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):412-21. doi: 10.1021/ci0255984. J Chem Inf Comput Sci. 2003. PMID: 12653503
Identification of biological activity profiles using substructural analysis and genetic algorithms.
Gillet VJ, Willett P, Bradshaw J. Gillet VJ, et al. Among authors: willett p. J Chem Inf Comput Sci. 1998 Mar-Apr;38(2):165-79. doi: 10.1021/ci970431+. J Chem Inf Comput Sci. 1998. PMID: 9538517
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