QSPR with extended topochemical atom (ETA) indices. 4. Modeling aqueous solubility of drug like molecules and agrochemicals following OECD guidelines
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
http://link.springer.com/content/pdf/10.1007/s11224-012-0080-5.pdf
Reference91 articles.
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3. Klamt A, Eckert F, Hornig M, Beck ME, Bürger T (2002) Prediction of aqueous solubility of drugs and pesticides with COSMO-RS. J Comput Chem 23:275–281
4. McElroy NR, Jurs PC (2001) Prediction of aqueous solubility of heteroatom-containing organic compounds from molecular structure. J Chem Inf Comput Sci 41:1237–1247
5. Schuster D, Laggner C, Langer T (2005) Why drugs fail-a study on side effects in new chemical entities. Curr Pharm Des 11:3545–3559
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