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11 Sep 2021: Estimating uncertainties in machine learning. 0 0.5 1 1.5 20. 2. ... 0 0.5 1 1.5 20. 2. 4. 6. 8. Model 1.

26 Nov 2021: who regarded the 2/20 hit ratefrom a structurally diverse set of 400 compounds that was not. ... K, D winnerJ just outsidetop 20. VitoSpadavecchio. library of “common” transformations as seen in CHEMBL.

28 Sep 2021: 7.5. 10.0. 12.5. 15.0. 17.5. 20.0. 22.5. 25.0Pred. icted. γ’ p. ... 14. 2 1 0 1 2( f ̂f )/σf. 0.00.20.40.60.8. Dens.

30 Aug 2021: Table 2. wt.% target maximum minimum. Ni Balance Balance Balance. Cr 20.0-20.4 22 18.0. ... Zr 0.05-0.07 0.10 0.02. Table 3. wt.% Composition. Ni Bal. Cr 20.2.

23 Aug 2021: II B) from between 20 atmand 30 atm and the atmospheric pressure within the 95% confidenceinterval. ... 3. Viscosity of linear alkanes. TABLE VII. Summary of viscosity simulations for linear alkanes at 20.

12 Aug 2021: J. Cheminform. 9, 56, https://doi.org/10.1186/s13321-017-0242-y (2017). 20. Bernstein, H. J. et al. ... 21Dutch Institute for Fundamental Energy Research (DIFFER), De Zaale 20, 5612 AJ, eindhoven, the netherlands.

15 Oct 2021: A further subset of 20% of the compounds in the training set was selected for internal validation. ... PLOS. One 7:e50798. [20] E. Brenna, C. Fuganti and S. Serra (2003) Enantioselective perception of chiral odorants.

22 Aug 2021: VMC method,20 we take a Slater-Jastrow wave function of theform17. ΨT = eJDD,.

23 Sep 2021: Alchemite demonstrated qualitative benefits over a variety of other machine learning methods, including randomforests (RFs),17 deep neural networks,18 matrix factorization,19,20 and purpose-made drug discovery imputation ... for convergence (usually 20-50

22 Aug 2021: reversible cytochrome P450 (CYP) 2D6 and 3A4inhibition.The data were split into an 80% training set and a 20%. ... For a consistentcomparison with the initial model, an 80:20 stratified split wasapplied, as for the initial data set.