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Journal of Chemical Information and Modeling· 2012Q1

Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17

Lars Ruddigkeit, Ruud van Deursen, Lorenz C. Blum, Jean‐Louis Reymond

Short summary

Researchers enumerated 166.4 billion organic small molecules (up to 17 atoms of C, N, O, S, and halogens) to define the unknown chemical space, creating the GDB-17 database.

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Field: Computational Theory and Mathematics

Computational Theory and MathematicsComputer Science