Please select the most similar patent number from A, B, C and D. Which number is?
A method for training a neural network for determining a molecule retrosynthesis route, comprises: for a plurality of molecules, when determining retrosynthesis routes of the molecules, using a hierarchical learning concept, dividing a training process, which needs a relatively deep search of a molecule retrosynthesis route, into multiple layers for training, replacing a complete retrosynthesis reaction process with the multiple layers of molecule retrosynthesis routes, and upon the completion of the training of one layer of molecule retrosynthesis route, selecting, by means of a molecular filtering method, representative molecules as starting molecules of the next layer of molecule retrosynthesis route. The present invention can effectively improve the efficiency of searching for a molecule retrosynthesis route, such that accurate molecule cost value information can be extracted more efficiently. In a hierarchical manner, a large amount of calculation overheads caused by determining a molecule retrosynthesis route are greatly reduced, and on the basis of ensuring the accuracy of the molecule retrosynthesis route, the time for determining the molecule retrosynthesis route is reduced.
A: The present invention discloses a P-type dopant, which is a planar aromatic compound with different numbers of fluorine atoms and cyano groups on the periphery, has the functions of adjusting the lowest unoccupied molecular orbital (LUMO) energy level and effectively increasing the luminous efficiency of the light-emitting layer, and its synthetic route has improved material synthesis efficiency. Furthermore, the present invention discloses an organic light-emitting diode comprising an anode; a cathode; and a light-emitting structure between the anode and the cathode, wherein the material for the hole injection layer of the light-emitting structure is a hole injection material comprising the previously described p-type dopant.
B: A data management system in drug development process, and a use method therefor, comprising: a user module, a development pipeline management module, a virtual filter module, an AI model management module, a visualization module, and an analysis module. The development pipeline management module separates data of each of a plurality of development pipelines. A preset virtual filter method and a conformation generator are integrated into the virtual filter module. An AI pharmaceutical molecule generation model is integrated into the AI model management module, and AI model training and utilization functions are provided in same. The visualization module represents a data set of each molecule as a circle. The analysis module is used to analyze and record a filter result from the virtual filter module. The method is able to batch filter molecules of approximately an order of magnitude of one million by means of various modeling methods, thus still being able to ensure development efficiency under a condition of a large increase in the order of magnitude of the number of molecules.
C: Provided is a method for preparing a dicarboxylic acid. The method comprises the following steps: 1) subjecting a raw material system containing a cyclic olefin and a monocarboxylic acid to an addition reaction of by means of an addition catalyst to generate an intermediate product system containing a carboxylic acid cyclic ester; and 2) subjecting the intermediate product system to a ring opening oxidation reaction by means of an oxidative catalyst to generate a corresponding dicarboxylic acid product. The addition reaction in a diacid synthesis route has a high single pass conversation and the corresponding carboxylic acid cyclic ester features good selectivity. In an addition-oxidation synthesis route, the addition reaction and the oxidation reaction both have a high rate, and the corresponding diacid product features high yield. The addition-oxidation synthesis route is suitable for the continuous, stable, and large-scale production of a corresponding diacid product.
D: A polymerizable compound of a general formula and an application thereof in preparing a high molecular weight polymer. The polymerizable compound does not exhibit, or exhibits to a lesser degree, problems existing in the prior art. Further, the polymerizable compound has good solubility and can resolve issues with high molecular weight polymers of the prior art caused by the poor solubility of polymerizable compounds. The preparation process and raw materials of the polymerizable compound are readily available, the synthetic route is simple and easy, and thus the polymerizable compound is suitable for large-scale industrial production.
Answer: B