Journal of Chemical Information & Computer Sciences
Three-Dimensional Chemical Structure Handling
Three-Dimensional Chemical Structure Handling
Bioinformatics—an introduction for computer scientists
ACM Computing Surveys (CSUR)
An Introduction to Chemoinformatics
An Introduction to Chemoinformatics
Bit-vector algorithms for binary constraint satisfaction and subgraph isomorphism
Journal of Experimental Algorithmics (JEA)
Local and global intrinsic dimensionality estimation for better chemical space representation
MIWAI'11 Proceedings of the 5th international conference on Multi-Disciplinary Trends in Artificial Intelligence
Communications of the ACM
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Chemoinformatics is an interface science aimed primarily at discovering novel chemical entities that will ultimately result in the development of novel treatments for unmet medical needs, although these same methods are also applied in other fields that ultimately design new molecules. The field combines expertise from, among others, chemistry, biology, physics, biochemistry, statistics, mathematics, and computer science. In this general review of chemoinformatics the emphasis is placed on describing the general methods that are routinely applied in molecular discovery and in a context that provides for an easily accessible article for computer scientists as well as scientists from other numerate disciplines.