Files in cinf
Basic tools for chemoinformatics
DESCRIPTION
NAMESPACE
R/cinf-sdf.R
R/cinf-filters.R
R/cinf-metals.R
R/cinf-mol.R
R/cinf-mdb.R
R/cinf-isomorph.R
R/cinf-mol2.R
R/cinf-descr-elem.R
R/cinf-molattribs.R
R/cinf-getprops.R
R/cinf-free-wilson.R
R/cinf-classperf.R
R/cinf-regression.R
R/cinf-descr-connect.R
R/cinf-hydrogens.R
man/substr_mask.Rd
man/add_mol_attribs.Rd
man/transfer_props.Rd
man/predict_table_free_wilson_mlr.Rd
man/connect.Rd
man/mdb_get_prop_vect.Rd
man/calc_specificity.Rd
man/get_props.Rd
man/calc_accuracy.Rd
man/get_prop.Rd
man/mdb_get_prop_matr1.Rd
man/mol_get_chelabs.Rd
man/read_sdf.Rd
man/mdb_get_num_comp.Rd
man/mdb_keep_matr_with_prop.Rd
man/calc_recall.Rd
man/predict_free_wilson_mlr.Rd
man/calc_balaccuracy.Rd
man/substruct.Rd
man/mdb_keep_with_prop.Rd
man/full_design.Rd
man/make_freq_table.Rd
man/add_impl_hydr.Rd
man/sample_subst.Rd
man/del_expl_hydr.Rd
man/PT.Rd
man/calc_precision.Rd
man/inv_free_wilson.Rd
man/calc_distance_matrix.Rd
man/read_mol2.Rd
man/alkans74.mdb.Rd
man/mol_get_ct.Rd
man/mdb_get_prop_names.Rd
man/write_sdf.Rd
man/calc_f1.Rd
man/write_mol2.Rd
man/process_free_wilson.Rd
man/calc_kappa.Rd
man/extract_new.Rd
man/find_substr_isomorph.Rd
man/get_prop_vec.Rd
man/get_prop_names.Rd
man/calc_sensitivity.Rd
man/calc_matcorcoef.Rd
man/elem.Rd
data/free-wilson-boehm.txt.gz
data/alkans74.RData
data/PT.RData
