WWW::Search::PubChem
====================

WWW::Search::PubChem provides access to PubChem's database of
chemicals using the L<WWW::Search> interface.

  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 "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};
  }

INSTALLATION

To install this module, run the following commands:

    perl Makefile.PL
    make
    make test
    make install

SUPPORT AND DOCUMENTATION

After installing, you can find documentation for this module with the perldoc command.

    perldoc WWW::Search::PubChem

You can also look for information at:

    Search CPAN
        http://search.cpan.org/dist/WWW-Search-PubChem

    CPAN Request Tracker:
        http://rt.cpan.org/NoAuth/Bugs.html?Dist=WWW-Search-PubChem

    AnnoCPAN, annotated CPAN documentation:
        http://annocpan.org/dist/WWW-Search-PubChem

    CPAN Ratings:
        http://cpanratings.perl.org/d/WWW-Search-PubChem

COPYRIGHT AND LICENCE

Copyright (C) 2008 David J. Iberri

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