Extended connectivity fingerprint

Zhou, D.S., Alelyunas, Y., Liu, R.F. Scores of extended connectivity fingerprint as descriptors in QSPR study of melting point and aqueous solubility. J. Chem. Inf. Model. 2008, 48, 981-7. 

Rogers, D., Brown, 1C D., Hahn, M. (2005) Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up. J Biomol Screeni 10, 682-686. First published on September 16, 2005 doi 10.1177/ 1087057105281365. 

ECFP fingerprints = Extended Connectivity FingerPrints substructure descriptors (O fingerprints)... 

Applications of Extended Connectivity fingerprints discussed in literature are [Schuffen-hauer. Brown et al, 2006 Jensen, Vind et al, 2007 Baldi, Benz et al, 2007]. 

A key factor in chemical data analysis is the choice of chemical descriptors. Recent analyses have shown that extended connectivity fingerprint (ECFP) descriptors-an implementation of circular substructural fingerprints native to Pipeline Pilot software (SciTegic, Accelrys, Inc.) based on the Morgan algorithm (2)-are superior for many tasks. Consequendy, they tend to be employed in our analyses herein. 

Fig. 3. The first two principal components of the safety profiling panel analysis (dark dots are primary panel). Note that each dot describes exactly one target. The targets located near each other are related in terms of the extended connectivity fingerprints of their chemical modulators.

Rogers D, Mathew H(2010) Extended connectivity fingerprints. J Chem Inf Model 50(5) 742-754... 

NBMs have most widely been used with sparse extended connectivity fingerprints [5, 7,12, 14, 22], Other descriptors also have been explored, such as 2D pharmacophore triplets [23] and atom types [24], Molecular fingerprints were also combined with continuous descriptors [25]. Although widely apphed naive Bayesian implementations bin continuous descriptors, the Bayesian framework naturally allows for incorporation of continuous descriptors characterized by a probabihty density, rather than a probability mass function, as in the binned case. 

Hu Y, Lounkine E, Bajorath J (2009) Improving the search performance of extended connectivity fingerprints through activity-oriented feature filtering and applieation of a bit-density-dependent similarity function. ChemMedChem 4 540-548... 

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