Sentence examples for based on chemical structure from inspiring English sources

In this report, we survey recent advances in the thermodynamic analysis of rigorous local structural models based on chemical structure.

The most accessible and transparent approaches to prediction based on chemical structure have been expert rule-based SAR models, supported by large relational databases of toxicologic information that can be searched by chemical structure and substructure to identify analogs that can be used to make inferences about the toxicity of a new chemical (Richard et al. 2006).

Structural applicability domain restricts chemical compounds based on chemical structure.

Sophisticated software is increasingly able to predict drug concentrations in different tissues, and toxicity or other biological effects, based on chemical structure.

Therefore the method can be used for predicting adverse events based on chemical structure alone.

The hits identified could be classified into three classes based on chemical structure.

In addition, the data recently proved useful in supporting computer-based toxicity predictions based on chemical structures and an individual's genetic makeup.

In this spirit, the current project aims at a faster elucidation of agrochemical target proteins based on chemical structures.

As more and more publishers, chemical suppliers, database producers, chemists embed InChI into their documents and programs and Internet resources, the more connections (links) will be made based on chemical structures.

A conceptual clustering method based on chemical structures and incorporating activity ratios was proposed 20 years ago, but it was an experiment in artificial intelligence with no real practical use [10].

By regarding a DNA primary sequence as a random process in time and defining the nucleotides' random distribution functions in three ways based on chemical structures they proposed two methods to measure their similarities.