Similarity

Asymmetry of Chemical Similarity

Xin Chen, and Frank K. Brown

ChemMedChem, 2(2), 180-182, 2006. Get Paper

Similarity Metrics and Descriptor Spaces - Which Combinations to Choose?

Robert C. Glen and Samuel E. Adams

QSAR Comb. Sci., 25(12), 1133-1142, 2006. Get Paper

Data and Graph Mining in Chemical Space for ADME and Activity Data Sets

Jörg K. Wegner , Holger Fröhlich, Holger M. Mielenz, and Andreas Zell

QSAR Comb. Sci., 25(3), 205-220, 2006. Get Paper

Approaches to Measure Chemical Similarity - a Review

Nina Nikolova, and Joanna Jaworska

QSAR Comb. Sci., 22(9-10), 1006-1026, 2003. Get Paper

Reoptimization of MDL Keys for Use in Drug Discovery

Joseph L. Durant, Burton A. Leland, Douglas R. Henry, and James G. Nourse

J. Chem. Inf. Comput. Sci., 42 (6), 1273 -1280, 2002. Get Paper

The Hidden Component of Size in Two-Dimensional Fragment Descriptors: Side Effects on Sampling in Bioactive Libraries

Steven L. Dixon and Ryan T. Koehler

J. Med. Chem., 42 (15), 2887-2900, 1999. Get Paper

Molecular Diversity and Representativity in Chemical Databases

Denis M. Bayada, Hans Hamersma, and Vincent J. van Geerestein

J. Chem. Inf. Comput. Sci., 39 (1), 1 -10, 1999. Get Paper

Chemical Similarity Searching

Peter Willett, John M. Barnard, and Geoffrey M. Downs

J. Chem. Inf. Comput. Sci., 38 (6), 983-996, 1998. Get Paper

On the Properties of Bit String-Based Measures of Chemical Similarity

Darren R. Flower

J. Chem. Inf. Comput. Sci., 38 (3), 379 -386, 1998. Get Paper

Toward a global maximization of the molecular similarity function: Superposition of two molecules

Pere Constans , Lluís Amat, and Ramon Carbó-Dorca

J. Comput. Chem., 18, 826-846, 1997. Get Paper

Application of Molecular Quantum Similarity to QSAR

Xavier Fradera, Lluís Amat, Emili Besalü, and Ramon Carbó-Dorca

Quant. Struct.-Act. Relat., 16 (1), 25-32, 1997. Get Paper

Parameter Based Methods for Compound Selection from Chemical Databases

Brian D. Hudson , Richard M. Hyde, Elizabeth Rahr, John Wood , and Julian Osman

Quant. Struct.-Act. Relat., 15 (4), 285-289, 1996. Get Paper

Use of Structure-Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection

Robert D. Brown and Yvonne C. Martin

J. Chem. Inf. Comput. Sci., 36 (3), 572 -584, 1996. Get Paper

Chemical Similarity Using Physiochemical Property Descriptors

Simon K. Kearsley, Susan Sallamack, Eugene M. Fluder, Joseph D. Andose, Ralph T. Mosley, and Robert P. Sheridan

J. Chem. Inf. Comput. Sci., 36 (1), 118 -127, 1996. Get Paper

A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases

John D. Holliday, Sonia S. Ranade, and Peter Willett

Quant. Struct.-Act. Relat., 14 (6), 501-506, 1995. Get Paper

A similarity measure for chemical data: Applications to cluster analysis

István Kolossváry, and Wolfhard Wegscheider

J. Chemom., 4(3), 255-266, 1990. Get Paper

The application of molecular similarity calculations

Catherine Burt , W. Graham Richards , and Philip Huxley

J. Comput. Chem., 11(10), 1139-1146, 1990. Get Paper

Linear notations and molecular graph similarity

William C. Herndon, and Steven H. Bertz

J. Comput. Chem., 8(4), 367-374, 1987. Get Paper

A Comparison of Some Measures for the Determination of Inter-Molecular Structural Similarity Measures of Inter-Molecular Structural Similarity

Peter Willett and Vivienne Winterman

Quant. Struct.-Act. Relat., 5 (1), 18-25, 1986. Get Paper

A Comparison of the Performance of Some Similarity and Dissimilarity Measures in the Automatic Classification of Chemical Structures

George W. Adamson and Judith A. Bush

J. Chem. Inf. Comput. Sci., 15 (1), 55-58, 1975. Get Paper