Related papers: Chemical Names Standardization using Neural Sequen…

Keyphrases efficiently summarize a document's content and are used in various document processing and retrieval tasks. Several unsupervised techniques and classifiers exist for extracting keyphrases from text documents. Most of these…

Automatic text categorization is a complex and useful task for many natural language processing applications. Recent approaches to text categorization focus more on algorithms than on resources involved in this operation. In contrast to…

Topic modelling is a popular unsupervised method for identifying the underlying themes in document collections that has many applications in information retrieval. A topic is usually represented by a list of terms ranked by their…

Machine learning methods have found many applications in Raman spectroscopy, especially for the identification of chemical species. However, almost all of these methods require non-trivial preprocessing such as baseline correction and/or…

This paper is a technical report on our system submitted to the chemical identification task of the BioCreative VII Track 2 challenge. The main feature of this challenge is that the data consists of full-text articles, while current…

Labeling of DNA molecules is a fundamental technique for DNA visualization and analysis. This process was mathematically modeled in [1], where the received sequence indicates the positions of the used labels. In this work, we develop error…

There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but ignore the vast textual knowledge available in chemistry.…

Motivation: Automatic Anatomical Therapeutic Chemical (ATC) classification is a critical and highly competitive area of research in bioinformatics because of its potential for expediting drug develop-ment and research. Predicting an unknown…

The difficulties of automatic extraction of definitions and methods from scientific documents lie in two aspects: (1) the complexity and diversity of natural language texts, which requests an analysis method to support the discovery of…

Information extraction from chemistry literature is vital for constructing up-to-date reaction databases for data-driven chemistry. Complete extraction requires combining information across text, tables, and figures, whereas prior work has…

The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structural patterns observed in molecules and solids. Chemical intuition is nothing but the ability to recognize and predict such patterns, and how…

Defining words in a textual context is a useful task both for practical purposes and for gaining insight into distributed word representations. Building on the distributional hypothesis, we argue here that the most natural formalization of…

Multi-label classification is an important yet challenging task in natural language processing. It is more complex than single-label classification in that the labels tend to be correlated. Existing methods tend to ignore the correlations…

The task of multi-step ahead prediction in language models is challenging considering the discrepancy between training and testing. At test time, a language model is required to make predictions given past predictions as input, instead of…

Computational synthesis planning approaches have achieved recent success in organic chemistry, where tabulated synthesis procedures are readily available for supervised learning. The syntheses of inorganic materials, however, exist…

A number of machine learning models have been proposed with the goal of achieving systematic generalization: the ability to reason about new situations by combining aspects of previous experiences. These models leverage compositional…

This paper presents a new technique for automatically synthesizing SQL queries from natural language. Our technique is fully automated, works for any database without requiring additional customization, and does not require users to know…

Nowadays, the continuous improvement and automation of industrial processes has become a key factor in many fields, and in the chemical industry, it is no exception. This translates into a more efficient use of resources, reduced production…

Information and data exchange is an important aspect of scientific progress. In computational materials science, a prerequisite for smooth data exchange is standardization, which means using agreed conventions for, e.g., units, zero base…

The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the…