環境毒性学会誌
Online ISSN : 1882-5958
Print ISSN : 1344-0667
ISSN-L : 1344-0667
論文
QSAR用プラットフォーム(PAS)作成のノウハウ-3 部分構造の取得法
吉岡 義正
著者情報
ジャーナル フリー

2009 年 12 巻 2 号 p. 113-122

詳細
抄録
The PAS(Platform for Assessment from Structure) has a characteristic method in getting the partial structures. The structural specifications to be extracted are described as a text according to the defined syntax and the program interprets the terms. The syntax employed is named as FITS(Fragment Identification by Tree System).The program succeeded in getting the same number of 103087 chemicals for 362 fragments and 381 factors used in the logP value calculation by EPI-SUITE. In Part 3, the FITS system is discussed.
著者関連情報
前の記事 次の記事
feedback
Top