Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets
PubChem is a public repository for biological activities of small molecules. For the efficient use of its vast amount of chemical information, PubChem performs 2-dimensional (2-D) and 3-dimensional (3-D) neigh...
Journal of Cheminformatics 2016 8:62
Published on: 4 November 2016