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2 Oct 2021: so sparse that many purely random splits would leave an empty test column. ... A breakdown of independent test 𝑅2 values across endpoints in the initial dataset.

30 Aug 2021: dies. Such applications require high hardness (as measured according to the Vickers hardness test) at a particular operating temperature. ... 1,000 C., which is supported by evidence from Vicker's hardness tests.

3 Apr 2021: researchers who design, synthesise and test new antimalarial candidates that they hope will.

23 Feb 2021: Treat. Turn. Test. Repeat. Build. • Noise variables. • Many variables / dimensionality. •

23 Sep 2021: These HTS campaigns may test hundreds of thousands, or even millions,of compounds. ... To maintain full modeling rigor, the dataset was split into training, validation, and independent test sets.

22 Aug 2021: Figure 3. Breakdown of independent test R2 values across endpointsin the initial data set. ... Therefore, these models are comparedon different test sets.Selecting the Most Confident Predictions.

30 Aug 2021: Such applications require high hardness (as measured according to the Vickershardness test) at a particular operating temperature. ... 1,000 C, which is supported by evidencefrom Vicker’s hardness tests.

15 Oct 2021: This is repeated for each data point in each row of the test set. ... subject to greater inter-individual variability between test subjects. Nonetheless, the Alchemite Imputation.

30 Aug 2021: with any required Static variables (such as test temperature, test frequency or strain rate).

25 Jan 2021: Landau mean-field theory accommodates only the minimum energy configuration.To test the validity of this approximation scheme, and to determine spatial correlationsit is necessary to take into account configurations of

26 Nov 2021: The test set was selected to be structurally diverse,including features known to be associated with inactivity (e.g.,transposition of the northwest pendant) but also featureswhere minor variations were known ... Since the series had moved on in the

23 Aug 2021: The Journalof Chemical Physics ARTICLE scitation.org/journal/jcp. Enhancing NEMD with automatic shear ratesampling to model viscosity and correctionof systematic errors in modeling density:Application to linear and light branched alkanes. Cite as:

28 Sep 2021: only test compositions below a certain predictederror threshold and to focus on the predictions most likely to fulfil the targettolerance in an experiment. ... an asterisk in Appendix B).In that test two thermodynamic databases were tested, TTNi8 and