David Iberri > WWW-Search-PubChem-0.01 > WWW::Search::PubChem

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WWW-Search-PubChem-0.01.tar.gz

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Module Version: 0.01   Source  

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.

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