search.compounds.by.name(KEGGSOAP)
search.compounds.by.name()所属R语言包：KEGGSOAP
Client-side interface to obtain a list of chemical compounds
客户端接口以获得化合物列表
译者：生物统计家园网 机器人LoveR
描述----------Description----------
The functions provide access to KEGG LIGAND database http://www.genome.jp/kegg/ligand.html. Given a compound name, a chemical formula, a molecular weight, or a common sub-structure, one of the functions below can return a list of compounds identifiers from KEGG LIGAND database.
该功能提供访问KEGG配体数据库http://www.genome.jp/kegg/ligand.html。鉴于化合物的名称，化学式，分子量，或一个共同的子结构，下面的功能之一，可以从KEGG配体数据库返回化合物标识符的列表。
用法----------Usage----------
search.compounds.by.name(name)
search.compounds.by.composition(composition)
search.compounds.by.mass(mass, range)
search.compounds.by.subcomp(mol, offset, limit)
参数----------Arguments----------
参数：name
name a character string to indicate a compound name
name字符串表示一个复合名称
参数：composition
composition a character string to indicate a compound composition, usually expressed as chemical formula
composition一个字符串来表示的化合物组成，通常作为化学式表示
参数：mass
massa float to indicate a molecular weight around mass
mass花车周围群众表示分子量
参数：range
range a float to indicate the range of molecular weight when searching compounds by mass
range花车搜寻大规模化合物时，表明分子量范围
参数：mol
mola character string to indicate a MOL formatted structural data, more in details section
mol格式化字符串，以表明MOL的结构数据，更在细节部分
参数：offset
offset an integer
offset整数
参数：limit
limit an integer
limit整数
Details
详情----------Details----------
search.compounds.by.name returns a list of compounds having the specified name;
search.compounds.by.name返回具有指定名称的化合物列表;
search.compounds.by.composition returns a list of compounds containing elements indicated by the composition. Order of the elements is insensitive;
search.compounds.by.composition返回一个包含表示元素组成的化合物名单。元素的顺序是敏感的;
search.compounds.by.mass returns a list of compounds having the molecular weight around "mass" with some ambiguity (range);
search.compounds.by.mass返回的周围有一些模糊（范围）的“质量”与分子量的化合物列表;
search.compounds.by.subcomp returns a list of compounds with the alignment having common sub-structure calculated by the subcomp program. You can obtain a MOL formatted structural data of matched compounds using bget with the "-f m" option to confirm the alignment.
search.compounds.by.subcomp返回一个化合物对准有共同的子结构计算由subcomp程序列表。您可以取得MOL的格式化匹配的化合物结构数据，使用bget“F M”选项以确认对齐。
值----------Value----------
All the functions return a character vector of chemical compound identifiers provided by KEGG LIGAND database
所有函数返回一个字符向量KEGG配体数据库提供的化合物标识符
作者（S）----------Author(s)----------
Nianhua Li
参考文献----------References----------
<h3>See Also</h3>
举例----------Examples----------
compounds_1 <- search.compounds.by.name("shikimic acid")
compounds_2 <- search.compounds.by.composition("C7H10O5")
compounds_3 <- search.compounds.by.mass(174.05, 0.1)
mol <- bget("-f m cpd:C00111")
compounds_4 <- search.compounds.by.subcomp(mol, 1, 5)
转载请注明:出自 生物统计家园网(http://www.biostatistic.net)。
注：
注1：为了方便大家学习，本文档为生物统计家园网机器人LoveR翻译而成，仅供个人R语言学习参考使用，生物统计家园保留版权。
注2：由于是机器人自动翻译，难免有不准确之处，使用时仔细对照中、英文内容进行反复理解，可以帮助R语言的学习。
注3：如遇到不准确之处，请在本贴的后面进行回帖，我们会逐渐进行修订。
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发表于 2012-2-25 23:03:41
