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Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.7b00020
Abstract: To better understand chemical space we recently enumerated the database GDB-17 containing 166.4 billion possible molecules up to 17 atoms of C, N, O, S and halogen following the simple rules of chemical stability and…
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Keywords:
database fdb;
gdb;
fragment database;
database ... See more keywords