Accurate In Silico log P Predictions: One Can't Embrace the Unembraceable
Author:
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qsar.200960003/fullpdf
Reference13 articles.
1. How to escape the bottleneck of medicinal chemistry
2. Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups
3. Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR
4. Can we estimate the accuracy of ADME–Tox predictions?
5. Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds
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