| antiox | Radical scavenging antioxidant assay, such as ABTS or DPPH; |
| cytotox | Cytotoxicity assay, such as 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay; |
| hemol | Hemolysis assay with human erythrocytes; |
| protect | Assay for protective effects on hydrogen peroxide-damaged cell culture; |
| dock | Vina docking affinity; |
| ADME | Absorption, distribution, metabolism and excretion—related SwissADME predictor variables: gi_absorption, bbb_permeant, pgp_substrate, cyp1a2_inhibitor, cyp2c19_inhibitor, cyp2c9_inhibitor, cyp2d6_inhibitor, cyp3a4_inhibitor, log_kp_.cm.s.; |
| chem | Molecular size-related SwissADME predictor variables: mw, X.heavy_atoms, X.aromatic_heavy_atoms, fraction_csp3, X.rotatable_bonds, X.h.bond_acceptors, X.h.bond_donors, mr, TPSA; |
| lip_sol | Lipophyllicity-related SwissADME predictor variables: ilogp, xlogp3, wlogp, mlogp, silicos.it_log_p, consensus_log_p; |
| wat_sol | Water solubility-related SwissADME predictor variables: esol_log_s, esol_solubility_.mg.ml., esol_solubility_.mol.l., esol_class, ali_log_s, ali_solubility_.mg.ml., ali_solubility_.mol.l., ali_class, silicos.it_logsw, silicos.it_solubility_.mg.ml., silicos.it_solubility_.mol.l., silicos.it_class; |
| lead_likeness | Lead-likeness-related SwissADME predictor variables: leadlikeness_.violations, synthetic_accessibility; |
| drug_likeness | Drug-likeness-related SwissADME predictor variables: lipinski_.violations, ghose_.violations, veber_.violations, egan_.violations, muegge_.violations, bioavailability_score; |
| med_chem_alerts | SwissADME predictor variables for filtering potentially problematic molecular fragments: pains_.alerts, brenk_.alerts; |
| drug_design | A summary term for the following type of SwissADME variables for filtering out molecules with problematic properties for drug design: lead_likeness, drug_likeness and med_chem_alerts; |
| mw | Molecular weight; |
| mr | Molar refractivity; |
| TPSA | Topological polar surface area; |
| fraction_csp3 | Proportion of sp3-hybridized carbons in a molecule; |
| LogP | Logarithm of the partition coefficient between 1-octanol and water. |