WWW::Search::PubChem

WWW::Search::PubChem provides access to PubChem's database of chemicals using the L 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 ", $chem->{iupac_name}; printf "SMILES string: %s ", $chem->{smiles}; printf "Molecular formula: %s ", $chem->{molecular_formula}; printf "Molecular weight: %s ", $chem->{molecular_weight}; printf "Exact mass: %s ", $chem->{exact_mass}; printf "# H-bond acceptors: %d ", $chem->{nhacceptors}; printf "# H-bond donors: %d ", $chem->{nhdonors}; printf "# Rotatable bonds: %d ", $chem->{nrotbonds}; printf "Fingerprint: %s ", $chem->{fingerprint}; printf "InChI string: %s ", $chem->{inchi}; printf "XLogP2: %s ", $chem->{xlogp2}; printf "Polar surface area: %s ", $chem->{tpsa}; printf "Monoisotopic weight: %s ", $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.