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. 2025 May 8;14(5):566. doi: 10.3390/antiox14050566
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.