The loadings express how well the new abstract principal components correlate with the old variables. Loading values (i.e., correlation coefficients) .0.7 are marked in boldface type in Table 5 . PC3 accounts for approximately 11% of the total variance. It is interesting to note that PC3 negatively correlates with Surflex_-Score, D_Score, G_Score, and ChemScore (SYBYL software) but positively correlates with PLP1, LigScore1, jain, and Ludi_1 (Discovery Studio software).