SCG '97 Proceedings of the thirteenth annual symposium on Computational geometry
RAPID: randomized pharmacophore identification for drug design
SCG '97 Proceedings of the thirteenth annual symposium on Computational geometry
Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL
Machine Learning - Special issue on applications of machine learning and the knowledge discovery process
RECOMB '99 Proceedings of the third annual international conference on Computational molecular biology
Geometric matching under noise: combinatorial bounds and algorithms
Proceedings of the tenth annual ACM-SIAM symposium on Discrete algorithms
On Determining the Congruity of Point Sets in Higher Dimensions
ISAAC '94 Proceedings of the 5th International Symposium on Algorithms and Computation
On the Approximation of Largest Common Subtrees and Largest Common Point Sets
ISAAC '94 Proceedings of the 5th International Symposium on Algorithms and Computation
3-D Substructure Matching in Protein Molecules
CPM '92 Proceedings of the Third Annual Symposium on Combinatorial Pattern Matching
Approximation Algorithms for the Largest Common Subtree Problem.
Approximation Algorithms for the Largest Common Subtree Problem.
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In the last few decades there have been remarkable advances in the biological and medical fields. Due to this biological revolution, the old trial and error methods routinely used as a tool to discover new drugs are being put aside, as they no longer fulfill the present pharmacological needs. Therefore, new methodologies for drug discovery that make extensive use of data mining are now emerging. Here we describe how data mining can help in the discovery of new drugs, and we give some examples of methods that are currently used, as well as their associated problems. In particular, we will focus on the problem of pharmacophore identification, in which information from diverse sources is integrated to discover the common characteristics that determine the activity of a drug.