Junhui Gao

Lijun Wang, Jianbing Gong, Yingxia Zhang et al.

We designed a fast similarity search engine for large molecular libraries: FPScreen. We downloaded 100 million molecules' structure files in PubChem with SDF extension, then applied a computational chemistry tool RDKit to convert each structure file into one line of text in MACCS format and stored them in a text file as our molecule library. The similarity search engine compares the similarity while traversing the 166-bit strings in the library file line by line. FPScreen can complete similarity search through 100 million entries in our molecule library within one hour. That is very fast as a biology computation tool. Additionally, we divided our library into several strides for parallel processing. FPScreen was developed in WEB mode.

Zhu Gao, Yanhui Jiang, Junhui Gao

In this paper, we try to explore the evolution of language through case calculations. First, we chose the novels of eleven British writers from 1400 to 2005 and found the corresponding works; Then, we use the natural language processing tool to construct the corresponding eleven corpora, and calculate the respective word vectors of 100 high-frequency words in eleven corpora; Next, for each corpus, we concatenate the 100 word vectors from beginning to end into one; Finally, we use the similarity comparison and hierarchical clustering method to generate the relationship tree between the combined eleven word vectors. This tree represents the relationship between eleven corpora. We found that in the tree generated by clustering, the distance between the corpus and the year corresponding to the corpus are basically the same. This means that we have discovered a specific language evolution tree. To verify the stability and versatility of this method, we add three other themes: Dickens's eight works, the 19th century poets' works, and art criticism of recent 60 years. For these four themes, we tested different parameters such as the time span of the corpus, the time interval between the corpora, the dimension of the word vector, and the number of high-frequency public words. The results show that this is fairly stable and versatile.