Chemistry central journal

HIGHLIGHTS

• who: Andreas Steffen and colleagues from the 7, München, Germany have published the paper: Chemistry Central Journal, in the Journal: (JOURNAL)
• what: The authors investigated the predictability of three thermodynamic quantities related to complex formation. This study shows that the ease of predicting ∆G° cannot be explained by the predictability of either ∆H° or ∆S°. Compared to the typical validation by external test-sets, this approach has an advantage of being less dependent on the partitioning into test and training sets, as each data point is part of the test-set exactly once. The . . .
  

   

  

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