In this paper, we present a rewriting framework for modeling molecular complexes, biochemical reaction rules, and generation of biochemical networks based on the representation of...
Predictive toxicology is the task of building models capable of determining, with a certain degree of accuracy, the toxicity of chemical compounds. Machine Learning (ML) in general...
This paper presents an application of Boosting for classifying labeled graphs, general structures for modeling a number of real-world data, such as chemical compounds, natural lan...
Aggregating and presenting a wide variety of information pertinent to the biological and pharmacological effects of chemical compounds will be a critical part of 21st century drug ...
Sashikiran Challa, David J. Wild, Ying Ding, Qian ...
The simulation of large systems of biochemical reactions is a key part of research into molecular signaling and information processing in biological cells. However, it can be impr...