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1. chinaXiv:201905.00012 [pdf]

Transfer Learning for Scientific Data Chain Extraction in Small Chemical Corpus with BERT-CRF Model

Na Pang; Li Qian; Weimin Lyu; Jin-Dong Yang
Subjects: Computer Science >> Natural Language Understanding and Machine Translation

Abstract. Computational chemistry develops fast in recent years due to the rapid growth and breakthroughs in AI. Thanks for the progress in natural language processing, researchers can extract more fine-grained knowledge in publications to stimulate the development in computational chemistry. While the works and corpora in chemical entity extraction have been restricted in the biomedicine or life science field instead of the chemistry field, we build a new corpus in chemical bond field anno- tated for 7 types of entities: compound, solvent, method, bond, reaction, pKa and pKa value. This paper presents a novel BERT-CRF model to build scientific chemical data chains by extracting 7 chemical entities and relations from publications. And we propose a joint model to ex- tract the entities and relations simultaneously. Experimental results on our Chemical Special Corpus demonstrate that we achieve state-of-art and competitive NER performance.

submitted time 2019-05-12 Hits23885Downloads1592 Comment 0

2. chinaXiv:201810.00002 [pdf]

多相单原子催化剂:一种新型的人工酶

Chao, Zhao; Can, Xiong; Man, Qiao; Tongwei, Yuan; Jing, Wang; Yunteng, Qu; XiaoQian, Wang; Fangyao, Zhou; Zhijun, Li; Qian, Xu; Shiqi, Wang; Min, Chen; Wenyu, Wang; Yafei, Li; Yuen, Wu; Yadong, Li
Subjects: Chemistry >> Inorganic Chemistry

在这里,我们报告了一种高温气体迁移策略来制备多相的单原子铁催化剂,并展示其优良的类天然酶的活性(定义为单原子酶,SAE)。 结果表明,Fe SAE的局部定义明确的FeN4位点与含血红素的天然酶的活性金属中心高度相似。 Fe SAE表现出超级高的类过氧化物酶,氧化酶和过氧化氢酶的活性,超过了Fe3O4纳米酶40倍。更重要的是,Fe SAE可以有效活化过氧化氢(H2O2)产生羟基自由基(?OH)。 这使得其可以作为一种多相化的类Fenton系统,可以应对不断增加的环境污染。 我们的研究结果开辟了一个新的人造材料家族-模仿天然

submitted time 2018-10-04 Hits3687Downloads1853 Comment 0

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