API for conmolfields
Continuous molecular fields

Global functions
PT Man page
add_impl_hydr Man page Source code
add_mol_attribs Man page Source code
alkans74.mdb Man page
calc_accuracy Man page Source code
calc_balaccuracy Man page Source code
calc_distance_matrix Man page Source code
calc_f1 Man page Source code
calc_kappa Man page Source code
calc_matcorcoef Man page Source code
calc_precision Man page Source code
calc_recall Man page Source code
calc_sensitivity Man page Source code
calc_specificity Man page Source code
calc_ss Source code
connect Man page Source code
del_expl_hydr Man page Source code
elem Man page Source code
extract_new Man page Source code
find_substr_isomorph Man page Source code
full_design Man page Source code
get_prop Man page Source code
get_prop_names Man page Source code
get_prop_vec Man page Source code
get_props Man page Source code
inv_free_wilson Man page Source code
make_freq_table Man page Source code
mdb_delete_metal Source code
mdb_get_num_comp Man page Source code
mdb_get_prop_matr1 Man page Source code
mdb_get_prop_names Man page Source code
mdb_get_prop_vect Man page Source code
mdb_keep_matr_with_prop Man page Source code
mdb_keep_with_prop Man page Source code
mlr Source code
mol_delete_metal Source code
mol_get_chelabs Man page Source code
mol_get_ct Man page Source code
plot_mlr_model Source code
plot_regr Source code
predict_free_wilson_mlr Man page Source code
predict_table_free_wilson_mlr Man page Source code
process_free_wilson Man page Source code
read_mol2 Man page Source code
read_sdf Man page Source code
regr_param Source code
rm_low_var Source code
sample_subst Man page Source code
substr_mask Man page Source code
substruct Man page Source code
test_free_wilson Source code
transfer_props Man page Source code
write_mol2 Man page Source code
write_sdf Man page Source code
conmolfields documentation built on Dec. 29, 2017, 3:01 p.m.