Fingerprints Barnard

Chemical Structure Fragments and Fingerprinting. Barnard Chemical Information Ltd. (BCI) 68 http //www.bci.gb.com/... 

BCI fingerprints, Barnard Chemical Information Ltd, 46 Uppergate Road, Stannington, Sheffield S6 6BX, UK... 

Dowms G M and J M Barnard 1997. Techniques for Generating Descriptive Fingerprints in Combina torial Libraries. Journal of Chemical Information and Computer Science 37 59-61. 

Enumerating the product space of combinatorial libraries and calculating the descriptors can be expensive computationally. Recently, Downs and Barnard [62] have described an efficient method of generating fingerprint descriptors of the molecules in a combinatorial library without the need for enumeration of the products. This method is based on earlier technology for handling Markush structures. An alternative approach is to use random sampling techniques to derive a statistical model of the property under consideration [63],... 

Downs GM, Barnard JM, Techniques for generating descriptive fingerprints in combinatorial libraries, J. Chem. Inf. Comput. Sci., 37 59-61, 1997. 

Barnard Chemical Information—provides chemical Fingerprint Generation Pack— to compute fragment-based fingerprints for cluster and diversity analysis (113)... 

Most of the descriptors discussed in this review require an enumerated structure, i,e., the full connection table of the reference molecule. For combinatorial libraries and for certain kinds of descriptors, this is not necessary. Downs and Barnard have recently presented an elegant method to compute molecular fingerprints based on the precursors, using techniques developed for Markush structure handling in chemical patents,... 

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