Table 3 Coefficients of the terms obtained for the protease-specific scoring functions trained with MLR.
From: New machine learning and physics-based scoring functions for drug discovery
Scoring functions | \(E_{coul4}\) | \(E_{vdWS}\) | \(E_{lipo}\) | \(E_{entropy}\) | \(E_{polar\_solv}\) | \(E_{np\_solv}\) | c0 |
|---|---|---|---|---|---|---|---|
Proteases | 0.0089 | 0.0399 | −0.1120 | 0.0153 | 0.0515 | 0.0809 | −4.8954 |
