背景：

所筛选的小分子库不是商业库，筛完药以后，我们会得到打分比较靠前的化合物，这时候我们需要想办法购买。

chemical book上面有供应商的信息，是根据cas号查询的。

利用chemical book网站，化合物的cas号以及perl，告诉你那些化合物是买的到的。

脚本puravailable.pl

puravailable.pl

：

===============================================

#!/usr/bin/perl -w

use strict;
use LWP::Simple;
#use Encode;
use utf8;
binmode(STDIN, :encoding(utf8)
binmode(STDOUT, :encoding(utf8)
binmode(STDERR, :encoding(utf8)
#funciont: according the cas id to report the chemical is available in china
#usage:perl puravailable.pl -input cas.txt -output buy.txt
#author :Zhaoqiang Chen 744891290@qq.com

my $name;
my $baseurl= http://www.chemicalbook.com/Search.aspx?keyword=
my $url;
if(@ARGV!=4)
{
$name= 11006-56-7




print #usage:perl puravailable.pl -input cas.txt -output buy.txt

$url= $baseurl . $name
#print $url;
my $content=get($url);

if($content=~/国内供应商(\\(\\d+\\))/)
{
print example:11006-56-7 have
print $1;
print vendors in china,the details in chemical book\\n
}


print \\n
}
else
{
open FH,$ARGV[1];
open FF, $ARGV[3]
while( FH )
{
chomp($_);
$name=$_;
$url= $baseurl . $name
my $content=get($url);

if($content=~/国内供应商\\((\\d+)\\)/)
{
print $_ have
print $1;
print vendors in china,the details in chemical book\\n
print FF $_
print FF $1;
print FF n
}
}



}