21 03 2007 chemoinformatics Tweet
忘れてたのでPlanet Chemoinformaticsに追加した。
下の2報がなかなか良くまとまっていた。
Chemistry Central Journal | Full text | Open access and open source in chemistry
Several proprietary drawing packages are widely used, but open source alternatives exist. For example, free chemical drawing tools that are in development include Bkchem [27], and JchemPaint [28]. Sophisticated tools exist for viewing molecules in three dimensions conveniently in web pages, such as Jmol [29]. A related product, MDLChime, is free to use but not open source [30]. A directory of open source chemistry projects may be found at the Open Science Project [31]. The Blue Obelisk movement seeks to ensure interoperability in these applications by maintaining a set of open standards and, amongst other things, maintaining a list of algorithm specifications in chemoinformatics [32,33]. Related tools of relevance to drug design are discussed elsewhere [34,35].
Chemistry Central Journal | Full text | Open access and medicinal chemistry
medicinal chemist's toolbox has expanded over the years to include, high-throughput screening, computer-aided design, X-ray crystallography, target protein mutagenesis, combinatorial and automated chemistry, QSAR, chemical property calculations, computational data analysis, high-throughput ADME assays. All of which would be suitable topics for the new Medicinal Chemistry section of the Chemistry Central Journal.
ここまで幅広いと、Medicinal Chemistrytはケミストリーってつくけど化学の領域じゃないよな。