Chemoinformatics — a new name for an old problem?

A bibliometric analysis of the literature of chemoinformatics

“…Author productivity, Bibliometrics, cheminformatics, chemoinformatics, citation analysis INTRODUCTION Chemical information has been processed and exploited for many years, first in printed (Cooke, 2004) and then in computer form Hann and Green 1999). It is now, under the name of chemoinformatics, a key component of modern chemical research (Gasteiger and Engels, 2003;Leach and Gillet, 2003).…”

“…These programmes involve the synthesis of large numbers of In this paper, we shall take 1998 as the starting point for our analysis, as this was when Brown's first formal definition of chemoinformatics appeared. That said, many of the basic techniques in chemoinformatics were developed prior to that date; indeed, the title of the paper by Hann and Green (1999) is "Chemoinformatics -a new name for an old problem".…”

“…That said, many of the basic techniques in chemoinformatics were developed prior to that date; indeed, the title of the paper by Hann and Green (1999) is "Chemoinformatics -a new name for an old problem".…”

“…These programmes involve the synthesis of large numbers of In this paper, we shall take 1998 as the starting point for our analysis, as this was when Brown's first formal definition of chemoinformatics appeared. That said, many of the basic techniques in chemoinformatics were developed prior to that date; indeed, the title of the paper by Hann and Green (1999) is "Chemoinformatics -a new name for an old problem".The 1998 starting point is thus rather arbitrary in nature and the interested reader is referred to several accounts (Chen 2006;Engel 2006;Willett 2003) that describe the historical development of the subject and of its core technologies, e.g., the use of graph, statistical and expert-system methods for searching chemical structure databases, for predicting biological activity, and designing synthetic pathways, respectively. …”

Quimioinformática: Uma Introdução

“…Trata-se uma ciência que evoluiu e se consolidou ao longo de décadas. 1,4 A revista científica mais importante da área, Journal of Chemical Information and Modeling, da American Chemical Society (ACS), existe desde 1961, chamada, na época, de Journal of Chemical Documentation (1961)(1962)(1963)(1964)(1965)(1966)(1967)(1968)(1969)(1970)(1971)(1972)(1973)(1974) Sciences (1975Sciences ( -2005, chegando no nome atual em 2005 (http://pubs.acs.org/toc/jcisd8/current). Nesse intervalo, várias áreas que hoje compõem a quimioinformática foram se consolidando como (i) representação, visualização, manipulação e processamento de estruturas químicas, (ii) organização de bases de dados de estruturas químicas e (iii) estudos das relações quantitativas entre estrutura e atividade/propriedade (QSAR/QSPR, do inglês, quantitative structure-activity/property relationships).…”