Sentence examples for based on chemical graph from inspiring English sources

E-state [31] refers to electro-topological state indices that are based on chemical graph theory.

In this paper, we present a multiclass molecular knowledge framework which is based on chemical graph theory and chemical knowledge.

Different algorithms have been developed in the past towards this goal, following distinct approaches spanning constraint-based modeling, graph-based methods and knowledge-based systems based on chemical rules.

Structural applicability domain restricts chemical compounds based on chemical structure.

The predictor based on chemical interactions outperformed the predictor based on chemical similarities.

These fragments are given unique and reproducible identifiers, based on fragment chemical graph structure and the canonical indices of the member heavy atoms, as well as their molecule of origin.

Prediction Based on Chemical-Chemical Interactions.

Based on such an underlying idea, the following predicted method based on chemical-chemical and protein-chemical interactions was developed.

In this paper, we call graphs based on graph theory "network graphs".

This is achieved by considering a dynamical system based on a chemical reaction graph with associated kinetic parameters.

Our method is based on bidirectional chemical search, and its implementation uses chemical graphs to represent sets of molecules.