/ 
WWW-Search-PubChem-0.01
River stage one • 1 direct dependent • 1 total dependent
/ WWW::Search::PubChem

NAME

WWW::Search::PubChem - Access PubChem's database of chemicals

SYNOPSIS

use WWW::Search;
my $search = new WWW::Search('PubChem');

my @ids = qw/ 126941 3253 77231 /;
$search->native_query( \@ids );

while( my $chem = $search->next_result ) {
  printf "PubChem ID: %s\n", $chem->{pubchemid};
  printf "IUPAC name: %s\n", $chem->{iupac_name};
  printf "SMILES string: %s\n", $chem->{smiles};
  printf "Molecular formula: %s\n", $chem->{molecular_formula};
  printf "Molecular weight: %s\n", $chem->{molecular_weight};
  printf "Exact mass: %s\n", $chem->{exact_mass};
  printf "# H-bond acceptors: %d\n", $chem->{nhacceptors};
  printf "# H-bond donors: %d\n", $chem->{nhdonors};
  printf "# Rotatable bonds: %d\n", $chem->{nrotbonds};
  printf "Fingerprint: %s\n", $chem->{fingerprint};
  printf "InChI string: %s\n", $chem->{inchi};
  printf "XLogP2: %s\n", $chem->{xlogp2};
  printf "Polar surface area: %s\n", $chem->{tpsa};
  printf "Monoisotopic weight: %s\n", $chem->{monoisotopic_weight};
}

METHODS

AUTHOR

David J. Iberri, <diberri at cpan.org>

BUGS

Please report any bugs or feature requests to bug-www-search-pubchem at rt.cpan.org, or through the web interface at http://rt.cpan.org/NoAuth/ReportBug.html?Queue=WWW-Search-PubChem. I will be notified, and then you'll automatically be notified of progress on your bug as I make changes.

SUPPORT

You can find documentation for this module with the perldoc command.

perldoc WWW::Search::PubChem

You can also look for information at:

ACKNOWLEDGEMENTS

COPYRIGHT & LICENSE

Copyright 2007 David J. Iberri, all rights reserved.

This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.