摘要:
The present invention relates to a metallic salt, a method of preparing the metallic salt, and an electrolyte and electrochemical device each including the metallic salt. A metallic salt including at least one anion having a heterocyclic aromatic structure represented by one of Formulae 1 to 3; and a metallic cation:
wherein, in Formulae 1 to 3, each X is independently N, P, or As, one of A 1 and A 2 is an electron-donating group, and the other one is an electron-withdrawing group, ring Ar 1 and ring Ar 2 are as defined herein, L is a linker group as defined herein, m is an integer from 1 to 5, and n is an integer from 0 to 5.
摘要:
A neural network apparatus for generating a new chemical structure may receive a structure input of a chemical structure; generate, based on the structure input, a negative attention vector that indicates a respective probability of presence of each of a plurality of blacklists in the structure input; generate a structure expression by encoding the structure input; generate a final reverse blacklist vector that does not include the plurality of blacklists, based on the negative attention vector and the structure expression; and generate the new chemical structure by decoding the final reverse blacklist vector.
摘要:
An apparatus for generating a target product by using a neural network is configured to: predict candidate reactant combinations for generating the target product by using a pre-trained retrosynthesis prediction model; predict a prediction product with respect to each of the candidate reactant combinations by using a pre-trained reaction prediction model; and determine an experimental priority order of the candidate reactant combinations based on a result of comparing the target product with the prediction product.
摘要:
An electrolyte for a secondary battery includes a non-aqueous solvent; a lithium salt; and a heterocyclic compound represented by Formula 1:
wherein, in Formula 1, R 1 and R 2 are each independently selected from hydrogen, a halogen group, a cyano group, a hydroxy group, a nitro group, -C(=O)R a , - C(=O)OR a , -OCO(OR a ), -C=N(R a ), a substituted or unsubstituted C 1 -C 20 alkyl group, and a combination thereof, wherein R a is selected from hydrogen and a C 1 -C 10 alkyl group, and, provided that at least one selected from R 1 and R 2 is selected from a halogen group, a cyano group, a hydroxy group, a nitro group, -C(=O)R a , -C(=O)OR a , a substituted or unsubstituted C 1 -C 20 alkyl group, and a combination thereof.