FBSS field-based similarity search

Schuffenhauer et al. [21] reported a comparative study ofbioisosteric replacements with UNITY 2D fingerprints and FBSS (field-based similarity search) using the Bioster database [22] as a source ofbioisosteric pairs. The authors report that both these 2D and 3D methods provide complementary results that were demonstrated to work synergistically when combined using data fusion. The UNITY fingerprint was reported to be very sensitive to heteroatom replacement. This sensitivity can be overcome somewhat by abstracting the atoms present in a structure into pharmacophoric features. 

Moffat, K., Gillet, V. J., Whittle, M., Bravi, G., Leach, A. R. (2008) A comparison of field-based similarity searching methods Cat-Shape, FBSS, and ROCS. J Chem Inf Model 48, 719-729. 

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