相关论文: Multimodal Search in Chemical Documents and Reacti…
In recent years, cross-modal retrieval has drawn much attention due to the rapid growth of multimodal data. It takes one type of data as the query to retrieve relevant data of another type. For example, a user can use a text to retrieve…
The multi-modal long-context document question-answering task aims to locate and integrate multi-modal evidences (such as texts, tables, charts, images, and layouts) distributed across multiple pages, for question understanding and answer…
Despite the growing adoption of electronic health records, many processes still rely on paper documents, reflecting the heterogeneous real-world conditions in which healthcare is delivered. The manual transcription process is time-consuming…
Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…
Now a day's, search engines are been most widely used for extracting information's from various resources throughout the world. Where, majority of searches lies in the field of biomedical for retrieving related documents from various…
An end-to-end platform for chemical science research has been developed that integrates data from computational and experimental approaches through a modern web-based interface. The platform offers a highly interactive visualization and…
Materials science literature contains millions of materials synthesis procedures described in unstructured natural language text. Large-scale analysis of these synthesis procedures would facilitate deeper scientific understanding of…
Scientific databases aggregate vast amounts of quantitative data alongside descriptive text. In biochemistry, molecule screening assays evaluate candidate molecules' functional responses against disease targets. Unstructured text that…
For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These…
Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…
Autonomous reaction network exploration algorithms offer a systematic approach to explore mechanisms of complex chemical processes. However, the resulting reaction networks are so vast that an exploration of all potentially accessible…
Extracting structured information from unstructured text is crucial for modeling real-world processes, but traditional schema mining relies on semi-structured data, limiting scalability. This paper introduces schema-miner, a novel tool that…
Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence…
Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the…
Quantum mechanical methods have been devised for the elucidation and clarification of reaction paths of chemical processes over decades. While they are typically deployed in routine calculations on systems for which some insights have…
Molecular search phenomena are observed in a variety of chemical and biological systems. During the search the participating particles frequently move in complex inhomogeneous environments with random transitions between different dynamic…
A significant part of human activity today consists of searching for a piece of information online, utilizing knowledge repositories. This endeavor may be time-consuming if the individual searching for the information is unfamiliar with the…
Images and text co-occur constantly on the web, but explicit links between images and sentences (or other intra-document textual units) are often not present. We present algorithms that discover image-sentence relationships without relying…
We introduce a mathematical framework for retrosynthetic analysis, an important research method in synthetic chemistry. Our approach represents molecules and their interaction using string diagrams in layered props - a recently introduced…
The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic…