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Tautomerism in large databases
We have used the Chemical Structure DataBase (CSDB) of the NCI CADD Group, an aggregated collection of over 150 small-molecule databases totaling 103.5 million structure records, to conduct tautomerism analyses on one of the largest currently existing sets of real (i.e. not computer-generated) compo...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Springer Netherlands
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2886898/ https://www.ncbi.nlm.nih.gov/pubmed/20512400 http://dx.doi.org/10.1007/s10822-010-9346-4 |