Chemoinformatics is the application of computer databases and information science methods to the management and utilization of data relating to chemistry. These methods include rapid search and retrieval, and increasingly specific search algorithms, as well as basic theoretical work relating to how data is stored, structured and indexed to permit optimum access. The chemical data can be roughly divided into two areas: digital representations of chemical structures and structural features, and digital representations of chemical property data. These digital representations involve file formats and structure and data keys to facilitate searchability. One of the challenges of chemoinformatics is to facilitate data transfer between incompatible formats. Many chemical and technology companies use sophisticated chemoinformatics to do data mining in support of their research and development programs in medicinal chemistry as well as organic chemistry. A more narrow application is in inventory management of chemical samples in a sample archive library.
Chemoinformatics Conferences in 2018
22 - 27 July 2018
Computational Chemistry - Gordon Research Conference
West Dover (US)
Chemoinformatics Conferences in 2017
27 August - 01 September 2017
11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)