Fast generation of in silico chemical libraries and arrays
Library enumeration in Flare is based on the RDKit method, and can be used to create libraries of small to medium size directly from the GUI, and larger libraries saving the output to disk.
Library enumeration in Flare includes more than 50 popular synthetic chemistry reactions
M. Hartenfeller, M. Eberle, P. Meier, C. Nieto-Oberhuber, K-H. Altmann, G. Schneider, E. Jacoby, and S. Renner, A Collection of Robust Organic Synthesis Reactions for In Silico Molecule Design, J. Chem. Inf. Model. 2011, 51, 12, 3093–3098
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