protactm-score / rf01_feature_names.json
jackzzsx's picture
Upload 2 files
6fa10d8 verified
[
"protac_heavy_atoms",
"protac_linker_heavy_atoms",
"linker_to_protac_ratio",
"protac_rotatable_bonds",
"linker_rotatable_bonds",
"protac_hbond_donors",
"protac_hbond_acceptors",
"linker_hbond_donors",
"linker_hbond_acceptors",
"protac_total_rings",
"protac_aromatic_rings",
"protac_aliphatic_rings",
"linker_total_rings",
"linker_aromatic_rings",
"linker_aliphatic_rings",
"linker_carbon_ratio",
"partner_a_residues",
"partner_b_residues",
"partner_residues_diff",
"partner_residues_sum",
"linker_mean_distance",
"linker_std_distance",
"linker_min_distance",
"linker_max_distance",
"protac_mean_energy",
"protac_std_energy",
"protac_min_energy",
"protac_max_energy",
"ligand_align_rmsd",
"protac_overlap_volume",
"decoy_cluster_members",
"minimize_energy",
"minimize_protac_energy",
"protac_vina_score",
"protac_int_energy",
"linker_int_energy",
"protac_a_int_energy",
"protac_b_int_energy",
"linker_a_int_energy",
"linker_b_int_energy",
"partner_a_int_energy",
"partner_b_int_energy",
"partner_ab_int_energy",
"interface_total_score",
"interface_complex_normalized",
"interface_dG_cross",
"interface_dG_cross/dSASAx100",
"interface_dG_separated",
"interface_dG_separated/dSASAx100",
"interface_dSASA_hphobic",
"interface_dSASA_int",
"interface_dSASA_polar",
"interface_delta_unsatHbonds",
"interface_dslf_fa13",
"interface_fa_atr",
"interface_fa_dun",
"interface_fa_elec",
"interface_fa_intra_rep",
"interface_fa_intra_sol_xover4",
"interface_fa_rep",
"interface_fa_sol",
"interface_hbond_E_fraction",
"interface_hbond_bb_sc",
"interface_hbond_lr_bb",
"interface_hbond_sc",
"interface_hbond_sr_bb",
"interface_hbonds_int",
"interface_lk_ball_wtd",
"interface_nres_all",
"interface_nres_int",
"interface_omega",
"interface_p_aa_pp",
"interface_packstat",
"interface_per_residue_energy_int",
"interface_pro_close",
"interface_rama_prepro",
"interface_ref",
"interface_sc_value",
"interface_side1_normalized",
"interface_side1_score",
"interface_side2_normalized",
"interface_side2_score",
"interface_yhh_planarity",
"protac_h_bonds",
"protac_h_bonds_a",
"protac_h_bonds_b",
"linker_h_bonds",
"linker_h_bonds_a",
"linker_h_bonds_b",
"partner_a_b_h_bonds",
"protac_int_h_bonds",
"linker_int_h_bonds",
"protac_aro_h_bonds",
"protac_aro_h_bonds_a",
"protac_aro_h_bonds_b",
"linker_aro_h_bonds",
"linker_aro_h_bonds_a",
"linker_aro_h_bonds_b",
"partner_a_b_aro_h_bonds",
"protac_salt_bridges",
"protac_salt_bridges_a",
"protac_salt_bridges_b",
"linker_salt_bridges",
"linker_salt_bridges_a",
"linker_salt_bridges_b",
"partner_a_b_salt_bridges",
"protac_pi_pi",
"protac_pi_pi_a",
"protac_pi_pi_b",
"linker_pi_pi",
"linker_pi_pi_a",
"linker_pi_pi_b",
"partner_a_b_pi_pi",
"protac_pi_cation",
"protac_pi_cation_a",
"protac_pi_cation_b",
"linker_pi_cation",
"linker_pi_cation_a",
"linker_pi_cation_b",
"partner_a_b_pi_cation",
"protac_only_sasa",
"protac_complex_sasa",
"delta_protac_sasa",
"partner_ab_only_sasa",
"partner_a_only_sasa",
"partner_b_only_sasa",
"partner_ab_complex_sasa",
"partner_a_complex_sasa",
"partner_b_complex_sasa",
"delta_partner_ab_sasa",
"delta_partner_a_sasa",
"delta_partner_b_sasa",
"protac_terminals_dist",
"protac_extensions_dist",
"protac_rdkit_energy"
]