Recent advances in chemoinformatics.
Chemoinformatics is a large scientific discipline that deals with the storage, organization, management, retrieval, analysis, dissemination, visualization, and use of chemical information. Chemoinformatics techniques are used extensively in drug discovery and development. Although many consider it a mature field, the advent of high-throughput experimental techniques and the need to analyze very large data sets have brought new life and challenges to it. Here, we review a selection of papers published in 2006 that caught our attention with regard to the novelty of the methodology that was presented. The field is seeing significant growth, which will be further catalyzed by the widespread availability of public databases to support the development and validation of new approaches.
Agrafiotis
Dimitris K
DK
Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Exton, Pennsylvania 19341, USA. dagrafio@prdus.jnj.com
Bandyopadhyay
Deepak
D
Wegner
Jörg K
JK
Vlijmen
Herman van
Hv
D020650:Combinatorial Chemistry Techniques; D004345:Drug Industry; D023281:Genomics; D048088:Informatics; D021281:Quantitative Structure-Activity Relationship