Science - USA (2019-01-18)
RESEARCH ARTICLE SUMMARY ◥ ASYMMETRIC CATALYSIS Prediction of higher-selectivity catalysts by computer-driven workflow and machi ...
RESEARCH ARTICLE ◥ ASYMMETRIC CATALYSIS Prediction of higher-selectivity catalysts by computer-driven workflow and machine learn ...
Perhaps the greatest impediment to accu- rate prediction in this manner is that no widely accepted workflow implementing chemoin ...
Zahrtet al.,Science 363 , eaau5631 (2019) 18 January 2019 3of11 A B D C Fig. 2. Generation of ASO descriptors.(A) Pictorial desc ...
see computational methods in the supplemen- tary materials). The substituents were chosen by surveying catalogs of boronic acids ...
developed by Antilla and co-workers ( 41 )was selected for several reasons. The reaction is high yielding and highly reproducibl ...
Zahrtet al.,Science 363 , eaau5631 (2019) 18 January 2019 6of11 A B Fig. 5. Model validation on thiol addition toN-acyl imines. ...
synthesized, allowing for stronger models to be produced, and we can use our technology to predict the outcome of reactions with ...
catalysts were predicted with a MAD of 0.236 kcal/mol. All three test sets were predicted at a level of accuracy equal to or gre ...
valuable for predicting the outcome of new substrate combinations, modeling beyond this range can be leveraged to enhance the ra ...
million (ppm),^1 H; 77.0 ppm,^13 C], residual ben- zene (d= 7.15 ppm,^1 H; 128.62 ppm,^13 C), or di- methyl sulfoxide (d= 2.50 p ...
beyond the range of selectivities in the training data, the models quantitatively underpredicted these reactions. By using Keras ...
RESEARCH ARTICLE SUMMARY ◥ NEUROSCIENCE Cerebellar modulation of the reward circuitry and social behavior Ilaria Carta, Christop ...
RESEARCH ARTICLE ◥ NEUROSCIENCE Cerebellar modulation of the reward circuitry and social behavior Ilaria Carta^1 , Christopher H ...
solution, intended to increase the magnitude and prolong the duration of optogenetically evoked depolarizations in the cerebella ...
whether test subjects voluntarily self-stimulate to activate the pathway. We expressed channel- rhodopsin in the cerebellar outp ...
used, light pulses did not have any adverse ef- fects on the speed at which the mice explored the chamber (fig. S4, I to L) or o ...
reward quadrant. To receive the stimulation again, they had to leave the quadrant and re- enter it (Fig. 3, I to K, and movie S1 ...
paradigm described earlier to explore whether mice find silencing of this pathway aversive. We used the same protocol described ...
chamber, and immediately terminated if it left the chamber (Fig. 6, B and C). Mice showed slightlygreaterpreferencefortheobjectc ...
«
1
2
3
4
5
6
7
8
9
10
»
Free download pdf