Negative data in data sets for machine learning training
Data-driven chemistry has been described as the “future” of industrial organic synthesis that
“will increasingly help guide synthetic chemists through the toughest synthesis problems”, in …
“will increasingly help guide synthetic chemists through the toughest synthesis problems”, in …
[PDF][PDF] Research data management practices and challenges in academic libraries: A comprehensive review
This comprehensive review article delves into the current landscape of research data
management (RDM) practices and challenges faced by academic libraries across various …
management (RDM) practices and challenges faced by academic libraries across various …
Reaction development: a student's checklist
So you've discovered a reaction. But how do you turn this new discovery into a fully-fledged
program that maximises the potential of your novel transformation? Herein, we provide a …
program that maximises the potential of your novel transformation? Herein, we provide a …
Achieving digital catalysis: strategies for data acquisition, storage and use
Heterogeneous catalysis is an important area of research that generates data as intricate as
the phenomenon itself. Complexity is inherently coupled to the function of the catalyst and …
the phenomenon itself. Complexity is inherently coupled to the function of the catalyst and …
Functional material systems enabled by automated data extraction and machine learning
The development of new functional materials is crucial for addressing global challenges
such as clean energy or the discovery of new drugs and antibiotics. Functional material …
such as clean energy or the discovery of new drugs and antibiotics. Functional material …
FAIR data and software: improving efficiency and quality of biocatalytic science
Biocatalysis is entering a promising era as a data-driven science. High-throughput
experimentation generates a rapidly increasing stream of biocatalytic data, which is the raw …
experimentation generates a rapidly increasing stream of biocatalytic data, which is the raw …
Results of a three-year survey on the implementation of research data management and the electronic laboratory notebook (eln) chemotion in an advanced inorganic …
As ongoing digitalization accelerates the execution of experiments and the documentation
and storage of the corresponding data substantially, appropriate research data management …
and storage of the corresponding data substantially, appropriate research data management …
Towards a Sustainable Future: Challenges and Opportunities for Early‐Career Chemists
The concepts of sustainability and sustainable chemistry have attracted increasing attention
in recent years, being of great importance to the younger generation. In this Viewpoint …
in recent years, being of great importance to the younger generation. In this Viewpoint …
[HTML][HTML] Large language models in electronic laboratory notebooks: Transforming materials science research workflows
In recent years, there has been a surge in research efforts dedicated to harnessing the
capabilities of Large Language Models (LLMs) in various domains, particularly in material …
capabilities of Large Language Models (LLMs) in various domains, particularly in material …
AI4Green: an open-source ELN for green and sustainable chemistry
An Electronic Laboratory Notebook (ELN) combining features, including data archival,
collaboration tools, and green and sustainability metrics for organic chemistry, is presented …
collaboration tools, and green and sustainability metrics for organic chemistry, is presented …