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The addition of PubChem3D to the existing contents of PubChem is a considerable achievement, given the scope, scale, and the fact that the resource is publicly accessible and free. With the ability to uncover latent structure-activity relationships of chemical structures, while complementing 2-D similarity analysis approaches, PubChem3D represents a new resource for scientists to exploit when exploring the biological annotations in PubChem.
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Evan Bolton
Jie Chen
Sunghwan Kim
SHILAP Revista de lepidopterología
Journal of Cheminformatics
National Institutes of Health
National Center for Biotechnology Information
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Bolton et al. (Tue,) studied this question.
www.synapsesocial.com/papers/69daa30f0f32475823a3d6f5 — DOI: https://doi.org/10.1186/1758-2946-3-32