QSAR. Journal of Cheminformatics. Cheminformatics. Cheminformatics (also known as chemoinformatics, chemioinformatics and chemical informatics) is the use of computer and informational techniques applied to a range of problems in the field of chemistry. These in silico techniques are used in, for example, pharmaceutical companies in the process of drug discovery. These methods can also be used in chemical and allied industries in various other forms. History[edit] The term chemoinformatics was defined by F.K.
Brown [1][2] in 1998: Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and optimization. Basics[edit] Applications[edit] Storage and retrieval[edit] The primary application of cheminformatics is in the storage, indexing and search of information relating to compounds. File formats[edit] Virtual libraries[edit] Virtual screening[edit] See also[edit] References[edit] Directory of in silico Drug Design tools. OpenEye Scientific Software. Cheminformatics, Chemoinformatics and Drug Design Resources.
S.chemist.