Graph-Mining Algorithm for the Evaluation of Bond Formability

Autor: Claude Laurenço, Frédéric Pennerath, Gilles Niel, Philippe Jauffret, Amedeo Napoli, Philippe Vismara

Publikováno v: Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, American Chemical Society, 2010, 50 (2), pp.221-239. ⟨10.1021/ci9003909⟩
Journal of Chemical Information and Modeling, 2010, 50 (2), pp.221-239. ⟨10.1021/ci9003909⟩

International audience; The formability of a bond in a target molecule is a bond property related to the problem of finding a reaction that synthesizes the target by forming the bond: the easier this problem, the higher the formability. Bond formabil

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