Table 4 Coefficients of the terms obtained for the iPPI-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 |
|---|---|---|---|---|---|---|---|
iPPIs | 0.0505 | 0.0024 | −0.0130 | 0.1967 | −0.1698 | 1.0569 | −0.7898 |
iPPIs-oneSolv | 0.0335 | −0.0207 | −0.0153 | 0.2038 | 1.1227 | −1.1397 | |
