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MedChem Studio™ References
Are target-family-privileged substructures truly privileged?
J. Med. Chem., 2006, 49(6), pp 2000–09
NIPALSTREE: A new hierarchical clustering approach for large compound libraries and its application to virtual screening.
J. Chem. Inf. Model., 2006, 46(6), pp 2220–29
Assessing the scaffold diversity of screening libraries.
J. Chem. Inf. Model., 2006, 46(2), pp 512–24
Classifying kinase inhibitor-likeness by using machine-learning.
ChemBioChem, 2005, 6, pp 558-66
Solubility prediction by recursive partitioning.
Pharm. Res., 2003, 20, pp 1634-40
Analysis of large screening data sets via adaptively grown phylogenetic-like trees.
J. Chem. Inf. Comput. Sci., 2002, 42(5), pp 1069-79
Rule extraction from a mutagenicity data set using adaptively grown phylogenetic-like trees.
J. Chem. Inf. Comput. Sci., 2002, 42(5), pp 1104-11
Data analysis of high-throughput screening results: application of multidomain clustering to the NCI anti-HIV data set.
J. Med. Chem., 2002, 45(14), pp 3082-93
Ties in proximity and clustering compounds.
J. Chem. Inf. Comput. Sci., 2001, 41, pp 134-46
Results of a new classification algorithm combining K nearest neighbors and recursive partitioning.
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〒060-0002 札幌市中央区北2条西2丁目1-5 リージェントビル
Tel 011-223-7456