Nikil Wale

Trends in Chemical Graph Data Mining

George Karypis, Xia Ning, Nikil Wale, 2010, Managing and Mining Graph Data.

Information retrieval and knowledge-based methods for drug discovery

George Karypis, Nikil Wale, G. Karypis, 2008 .

Comparison of Descriptor Spaces for Chemical Compound Retrieval and Classification

George Karypis, Nikil Wale, 2006, ICDM.

Machine learning in drug discovery and development

Nikil Wale, Nikil Wale, 2011 .

Method for effective virtual screening and scaffold-hopping in chemical compounds.

George Karypis, Nikil Wale, Ian A Watson, 2007, Computational systems bioinformatics. Computational Systems Bioinformatics Conference.

Comparison of descriptor spaces for chemical compound retrieval and classification

George Karypis, Ian A. Watson, Nikil Wale, 2006, Sixth International Conference on Data Mining (ICDM'06).

Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds

George Karypis, Ian A. Watson, Nikil Wale, 2008, J. Chem. Inf. Model..

Scientific Data Analysis

Nagiza F. Samatova, Krishna Rajan, George Karypis, 2009, Scientific Data Management.

Target Fishing for Chemical Compounds Using Target-Ligand Activity Data and Ranking Based Methods

George Karypis, Nikil Wale, G. Karypis, 2009, J. Chem. Inf. Model..

Comparing bioassay response and similarity ensemble approaches to probing protein pharmacology

Bin Chen, David J. Wild, Nikil Wale, 2011, Bioinform..

An Empirical Comparison of Platt Calibration and Inductive Confidence Machines for Predictions in Drug Discovery

Nikil Wale, 2010, 2010 IEEE International Conference on Data Mining Workshops.