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\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.