Search · four archives
Search · four archives
11 papers · ranked by Valyu relevance
Gergely Zahoránszky-Kőhalmi, Brandon Walker, Nathan Miller, Brett Yang + 11 more
The recent SmartGraph platform facilitates the execution of complex drug-discovery workflows with ease in the network-pharmacology paradigm. However, at the time of its publication, we identified the need for the development of an Application Programming Interface (API) that could promote biomedical data integration…
Amy K. Glen, Chunyu Ma, Luis Mendoza, Finn Womack + 11 more
With the rapidly growing volume of knowledge and data in biomedical databases, improved methods for knowledge-graph-based computational reasoning are needed in order to answer translational questions. Previous efforts to solve such challenging computational reasoning problems have contributed tools and approaches, but…
Tiffany J. Callahan, Ignacio J. Tripodi, Lawrence E. Hunter, William A. Baumgartner
Although knowledge graphs (KGs) are used extensively in biomedical research to model complex phenomena, many KG construction methods remain largely unable to account for the use of different standardized terminologies or vocabularies, are often difficult to use, and perform poorly as the size of the KG increases in…
Amy K. Glen, Eric W. Deutsch, Stephen A. Ramsey
Knowledge graphs are increasingly being used to integrate heterogeneous biomedical knowledge and data. General-purpose graph database management systems such as Neo4j are often used to host and search knowledge graphs, but such tools come with overhead and leave biomedical-specific standards compliance and reasoning to…
Guangrong Qin, Kamileh Narsinh, Qi Wei, Jared C. Roach + 15 more
As large clinical and multiomics datasets and knowledge resources accumulate, they need to be transformed into computable and actionable information to support automated reasoning. These datasets range from laboratory experiment results to electronic health records (EHRs). Barriers to accessibility and sharing of such…
Frédéric Burdet, Pierre-Marie Allard, Louis-Felix Nothias, Olivier Kirchhoffer + 16 more
Plants have a complex chemo-diversity and represent a reservoir of potential new therapeutic agents. Within a Swiss research project, six scientific research groups from different disciplines are collaborating to investigate a collection of more than 17’000 unique dried plant extracts. It aims to find new bioactive…
Authors not listed
Step-by-step thinking is essential in all domains of chemical sciences and engineering. While machine learning tools are broadly used, algorithms that automate reasoning are far less common. We elaborate on seven categories of human reasoning activities and connect each to applications in chemical science and…
David N. Nicholson, Daniel S. Himmelstein, Casey S. Greene
Knowledge graphs support multiple research efforts by providing contextual information for biomedical entities, constructing networks, and supporting the interpretation of high-throughput analyses. These databases are populated via some form of manual curation, which is difficult to scale in the context of an…
Michael Statt, Brian Rohr, Dan Guevarra, Ja'Nya Breeden + 2 more
Materials knowledge is inherently hierarchical. While high-level descriptors such as composition and structure are valuable for contextualizing materials data, the data must ultimately be considered in the context of its low-level acquisition details. Graph databases offer an opportunity to represent hierarchical…
Authors not listed
In recent years, the development of large language models (LLMs) has revolutionized various fields of natural science, yet their application in molecular data processing remains constrained due to the reliance on single-modality inputs and outputs. To bridge the gap between experimenters and computational tools, we…
Kan Hatakeyama-Sato, Naoki Yamane, Yasuhiko Igarashi, Yuta Nabae + 1 more
This paper evaluates the capabilities and limitations of the Generative Pre-trained Transformer 4 (GPT-4) in chemical research. Although GPT-4 exhibits remarkable proficiencies, it is evident that the quality of input data significantly affects its performance. We explore GPT-4's potential in chemical tasks, such as…