Combinatorial Library Design using a Multiobjective Genetic Algorithm. Gillet, V., Khatib, W., Willett, P., Fleming, P., & Green, D. Journal of Chemical Information and Computer Sciences, 42(2):375--385, March-April, 2002.
bibtex   
@article{Gillet02,
   author = {V.J. Gillet and W. Khatib and P. Willett
   and P.J. Fleming and D.V.S. Green},
   title = {Combinatorial {L}ibrary {D}esign using
   a {M}ultiobjective {G}enetic {A}lgorithm},
   journal = {Journal of Chemical Information and
   Computer Sciences},
   volume = {42},
   number = {2},
   pages = {375--385},
   month = {March-April},
   year = {2002}
}

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