Skip to main content
. 2022 Jan 17;11:e68832. doi: 10.7554/eLife.68832

Appendix 1—figure 6. Calculated physicochemicals do not distinguish between positive and negative acting drugs.

Appendix 1—figure 6.

Calculated physicochemical descriptors (RDKit) were used to compare positively or negatively acting on the insulin resistance-drug repurposing (IR-DR) signature for systemic properties that might contribute to assay score (MolWt, HeavyAtomCount, NumHeteroatoms, MolLogP, NumRotatableBonds, TPSA, NumAromaticRings, NumSaturatedRings, NumAliphaticRings, RingCount, BalabanJ, NumHAcceptors, NumHDonors). The results were plotted using mean and standard deviation.