Systematic correlation of structural modifications with biological potency. Quantitative SAR (QSAR) regresses log(1/IC50) on molecular descriptors (Hansch, π, σ, MR); modern variants use neural fingerprints.
Systematic correlation of structural modifications with biological potency. Quantitative SAR (QSAR) regresses log(1/IC50) on molecular descriptors (Hansch, π, σ, MR); modern variants use neural fingerprints.