G. Moreau et C. Turpin, USE OF SIMILARITY ANALYSIS TO REDUCE LARGE MOLECULAR LIBRARIES TO SMALLER SETS OF REPRESENTATIVE MOLECULES, Analusis, 24(1), 1996, pp. 17-21
The autocorrelation technique is used to transform 2D- or 3D-structure
s into vectors and is particularly suited for the study of the diversi
ty of large molecular libraries, to reduce their size to smaller sets
and to plan the synthesis of combinatorial libraries.