Efficient Substructure Searching of Large Chemical Libraries: The ABCD Chemical Cartridge

Dimitris K. Agrafiotis, Victor S. Lobanov, Maxim Shemanarev, Dmitrii N. Rassokhin, Sergei Izrailev, Edward P. Jaeger, Simson Alex, Michael Farnum. Efficient Substructure Searching of Large Chemical Libraries: The ABCD Chemical Cartridge. Journal of Chemical Information and Computer Sciences, 51(12):3113-3130, 2011. [doi]

Abstract

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