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Random Forest Models To Predict Aqueous Solubility

✍ Scribed by Palmer, David S.; O'Boyle, Noel M.; Glen, Robert C.; Mitchell, John B. O.

Book ID
120230256
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
195 KB
Volume
47
Category
Article
ISSN
0095-2338

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## Abstract The relationship between the aqueous solubility of more than two thousand eight hundred organic compounds and their structures was investigated using a QSPR approach based on Simplex Representation of Molecular Structure (SiRMS). The dataset consists of 2537 diverse organic compounds. M