Gas chemical sensors are strongly affected by the so-called drift, i.e., changes in sensors’ response caused by poisoning and aging that may significantly spoil the measures g...
Quantitative structure-activity relationships (QSARs) are regression models relating chemical structure to biological activity. Such models allow to make predictions for toxicologi...
In this paper, we address the problem of optimal synthesis of an integrated water system, where water using processes and water treatment operations are combined into a single net...
The assessment of chemical similarity between molecules is a basic operation in chemoinformatics, a computational area concerning with the manipulation of chemical structural info...
Background: The system-level dynamics of many molecular interactions, particularly protein-protein interactions, can be conveniently represented using reaction rules, which can be...
Joshua Colvin, Michael I. Monine, Ryan N. Gutenkun...