Chemical reaction networks and opportunities for machine learning
Chemical reaction networks (CRNs), defined by sets of species and possible reactions
between them, are widely used to interrogate chemical systems. To capture increasingly …
between them, are widely used to interrogate chemical systems. To capture increasingly …
Converting nanotoxicity data to information using artificial intelligence and simulation
Decades of nanotoxicology research have generated extensive and diverse data sets.
However, data is not equal to information. The question is how to extract critical information …
However, data is not equal to information. The question is how to extract critical information …
Structured information extraction from scientific text with large language models
Extracting structured knowledge from scientific text remains a challenging task for machine
learning models. Here, we present a simple approach to joint named entity recognition and …
learning models. Here, we present a simple approach to joint named entity recognition and …
Structured information extraction from complex scientific text with fine-tuned large language models
Intelligently extracting and linking complex scientific information from unstructured text is a
challenging endeavor particularly for those inexperienced with natural language processing …
challenging endeavor particularly for those inexperienced with natural language processing …
Neural scaling of deep chemical models
Massive scale, in terms of both data availability and computation, enables important
breakthroughs in key application areas of deep learning such as natural language …
breakthroughs in key application areas of deep learning such as natural language …
Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities
Gold nanoparticles are highly desired for a range of technological applications due to their
tunable properties, which are dictated by the size and shape of the constituent particles …
tunable properties, which are dictated by the size and shape of the constituent particles …
Scirepeval: A multi-format benchmark for scientific document representations
Learned representations of scientific documents can serve as valuable input features for
downstream tasks without further fine-tuning. However, existing benchmarks for evaluating …
downstream tasks without further fine-tuning. However, existing benchmarks for evaluating …
New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research
In this perspective, we highlight results of a research consortium devoted to advancing
understanding of oxygen reduction reaction (ORR) catalysis as a means to inform fuel cell …
understanding of oxygen reduction reaction (ORR) catalysis as a means to inform fuel cell …
A general-purpose material property data extraction pipeline from large polymer corpora using natural language processing
P Shetty, AC Rajan, C Kuenneth, S Gupta… - npj Computational …, 2023 - nature.com
The ever-increasing number of materials science articles makes it hard to infer chemistry-
structure-property relations from literature. We used natural language processing methods to …
structure-property relations from literature. We used natural language processing methods to …
[HTML][HTML] The role of artificial intelligence in generating original scientific research
Artificial intelligence (AI) is a revolutionary technology that is finding wide application across
numerous sectors. Large language models (LLMs) are an emerging subset technology of AI …
numerous sectors. Large language models (LLMs) are an emerging subset technology of AI …