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3DSEARCH: a system for three-dimensional substructure searching.

R. Sheridan, R. Nilakantan, A. III, N. Bauman, K. Haraki, and R. Venkataraghavan. Journal of Chemical Information and Computer Sciences, 29 (4): 255-260 (1989)

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P. Hommel

P. Abegglen

P. Krasteva

Robert Henzel University of Stuttgart

Dr. rer. nat. Robert Seyfang University of Stuttgart

Other publications of authors with the same name

A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules.R. Sheridan, and M. Miller. Journal of Chemical Information and Computer Sciences, 38 (5): 915-924 (1998)Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR.R. Sheridan, P. Hunt, and J. Culberson. Journal of Chemical Information and Modeling, 46 (1): 180-192 (2006)Three Useful Dimensions for Domain Applicability in QSAR Models Using Random Forest.R. Sheridan. Journal of Chemical Information and Modeling, 52 (3): 814-823 (2012)Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds.R. Sheridan. Journal of Chemical Information and Computer Sciences, 43 (3): 1037-1050 (2003)Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective Prediction.R. Sheridan. Journal of Chemical Information and Modeling, 53 (4): 783-790 (2013)The Most Common Chemical Replacements in Drug-Like Compounds.R. Sheridan. Journal of Chemical Information and Computer Sciences, 42 (1): 103-108 (2002)Comparison of Random Forest and Pipeline Pilot Naïve Bayes in Prospective QSAR Predictions.B. Chen, R. Sheridan, V. Hornak, and J. Voigt. Journal of Chemical Information and Modeling, 52 (3): 792-803 (2012)The Centroid Approximation for Mixtures: Calculating Similarity and Deriving Structure-Activity Relationships.R. Sheridan. Journal of Chemical Information and Computer Sciences, 40 (6): 1456-1469 (2000)Designing novel nicotinic agonists by searching a database of molecular shapes.R. Sheridan, and R. Venkataraghavan. Journal of Computer-Aided Molecular Design, 1 (3): 243-256 (1987)Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results.R. Sheridan, G. McGaughey, and W. Cornell. Journal of Computer-Aided Molecular Design, 22 (3-4): 257-265 (2008)