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COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
Autores principales: | Thormann, M, Klamt, A, Wichmann, K, Wittekindt, C, Almstetter, M |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4235602/ http://dx.doi.org/10.1186/1752-153X-2-S1-P15 |
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