I threw together a Python script to compare the data files of OB and RDKit to see whether they contained the same figures. I haven't yet looked at the paper to verify these, but here are the preliminary results:
MR In OB, not in RDKit: set([-0.57540000000000002]) In RDKit, not in OB: set([5.7538999999999998]) LOGP In OB, not in RDKit: set([0.083900000000000002, -1.95, 0.081299999999999997, 0.0 14999999999999999, 0.14410000000000001]) In RDKit, not in OB: set([0.081199999999999994, 0.1411, 0.010500000000000001, 0. 083799999999999999, -0.19500000000000001]) The 0.1411 vs. 0.1441 error (LogP) in RDKit was identified yesterday or so by Greg. Noel
