相关论文: ChemCloud: Chemical e-Science Information Cloud

Human health is increasingly threatened by exposure to hazardous substances, particularly persistent and toxic chemicals. The link between these substances, often encountered in complex mixtures, and various diseases are demonstrated in…

Based on integrated infrastructure of resource sharing and computing in distributed environment, cloud computing involves the provision of dynamically scalable and provides virtualized resources as services over the Internet. These…

The European Open Science Cloud aims to make all data Findable, Accessible, Interoperable and Reusable. By far the largest community of users of the European Open Science Cloud is the science-inclined public. These users need a more curated…

In this work, we present the ChemNLP library that can be used for 1) curating open access datasets for materials and chemistry literature, developing and comparing traditional machine learning, transformers and graph neural network models…

According to the FAIR (findability, accessibility, interoperability, and reusability) principles, scientific data should always be stored with machine-readable descriptive metadata. Existing solutions to store data with metadata, such as…

In this paper we present the FolksoDriven Cloud (FDC) built on Cloud and on Semantic technologies. Cloud computing has emerged in these recent years as the new paradigm for the provision of on-demand distributed computing resources.…

Food, energy, and water (FEW) are key resources to sustain human life and economic growth. There is an increasing stress on these interconnected resources due to population growth, natural disasters, and human activities. New research is…

Information retrieval from distributed heterogeneous data sources remains a challenging issue. As the number of data sources increases more intelligent retrieval techniques, focusing on information content and semantics, are required.…

Phase transition from the human-limited, "analogue" way of research enquiry to the silicon-based, artificial intelligence (AI)-powered digital science is forthcoming. To facilitate this transition, I propose three project ideas: 1)…

The rapid growth of Artificial Intelligence and Machine Learning in scientific research has highlighted a gap between industry-standard MLOps tools and platforms, and the unique requirements of modern and Open Science, particularly…

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

The Chem2Bio2RDF portal is a Linked Open Data (LOD) portal for systems chemical biology aiming for facilitating drug discovery. It converts around 25 different datasets on genes, compounds, drugs, pathways, side effects, diseases, and…

Natural Language Processing (NLP) is widely used to supply summarization ability from long context to structured information. However, extracting structured knowledge from scientific text by NLP models remains a challenge because of its…

Information access needs to be uncomplicated, users rather use incorrect data which is easily received than correct information which is harder to obtain. Querying bibliographic metadata from digital libraries mainly supports simple textual…

Various computing and data resources on the Web are being enhanced with machine-interpretable semantic descriptions to facilitate better search, discovery and integration. This interconnected metadata constitutes the Semantic Web, whose…

Cloud computing provides a great opportunity for scientists, as it enables large-scale experiments that cannot are too long to run on local desktop machines. Cloud-based computations can be highly parallel, long running and data-intensive,…

The World Wide Web no longer consists just of HTML pages. Our work sheds light on a number of trends on the Internet that go beyond simple Web pages. The hidden Web provides a wealth of data in semi-structured form, accessible through Web…

Information extraction and data mining in biochemical literature is a daunting task that demands resource-intensive computation and appropriate means to scale knowledge ingestion. Being able to leverage this immense source of technical…

This paper describes the KnowledgeHub tool, a scientific literature Information Extraction (IE) and Question Answering (QA) pipeline. This is achieved by supporting the ingestion of PDF documents that are converted to text and structured…

The development of chemical engineering technology is a multi-stage process that encompasses laboratory research, scaling up, and industrial deployment. This process demands interdisciplinary col laboration and typically incurs significant…