Molecular data-mining: a challenge for chemometrics

Finding groups in data: an introduction to cluster analysis

Choice Reviews Online · 1991 · 10.6K citations

Engineering, Software Engineering, Fuzzy Analysis +16

The protein data bank: A computer-based archival file for macromolecular structures

F. C. Bernstein, Thomas F. Koetzle, G. J. B. Williams et al. · Journal of Molecular Biology · 1977 · 8.6K citations

Structural Bioinformatics, Biomolecular Structure Prediction, Protein Folding +13

Automatic subspace clustering of high dimensional data for data mining applications

Rakesh Agrawal, Johannes Gehrke, Dimitrios Gunopulos et al. · 1998 · 2.4K citations

Cluster Computing, Cluster Descriptions, Engineering +19

Chemical Similarity Searching

Peter Willett, John M. Barnard, Geoffrey M. Downs · Journal of Chemical Information and Computer Sciences · 1998 · 1.8K citations

Bioorganic Chemistry, Engineering, Chemical Analysis +16

The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information

Frank H. Allen, S. Bellard, M. D. Brice et al. · Acta Crystallographica Section B · 1979 · 1.2K citations

Crystal Structure, Engineering, Data Science +10