Constructing virtual combinatorial fragment libraries based upon MDL Drug Data Report database
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s11426-007-0056-2.pdf
Reference24 articles.
1. Lipinski C A, Lombardo F, Dominy B W, Feeney P J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Delivery Rev, 1997, 23(1): 3–25
2. Hornig M, Klamt A. COSMO frag: a novel tool for high-throughput ADME property prediction and similarity screening based on quantum chemistry. J Chem Inf Model, 2005, 45(5): 1169–1177
3. Refsgaard H H, Jensen B F, Brockhoff P B, Padkjaer S B, Guldbrandt M, Christensen M S. In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, 2005, 48(3): 805–811
4. Muskal S M, Jha S K, Kishore M P, Tyagi P. A simple and readily integratable approach to toxicity prediction. J Chem Inf Comput Sci, 2003, 43(5): 1673–1678
5. Mazzatorta P, Vracko M, Jezierska A, Benfenati E. Modeling toxicity by using supervised kohonen neural networks. J Chem Inf Comput Sci, 2003, 43(2): 485–492
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