The need to generate graphs representing chemical structures suggested the use of computer and as a consequence the delevopment of efficient enumerating algorithms. This paper considers the isomeric acyclic structures enumeration focusin on the alkane molecular family. Two new algorithms based on Reverse Search are presented. The main concern of this paper is to highlight the importance of the asymptotic complexity and running time behaviour in the analysis of enumeration algorithms
Nonredundant and exhaustive generation of stereoisomers of a chemical compound with a specified cons...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of alkanes was ...
The theory of chemical enumeration can be considered to have reached maturity with the works by Bala...
In the chemical community the need for representing chemical structures within a given family and of...
Background: Drug discovery and design are important research fields in bioinformatics. Enumeration o...
AbstractChemical compounds are usually represented as graph structured data in computers. In this re...
Abstract. The algorithms are developed for computer enumeration and gener-ation of isomeric acyclic ...
Graph generation algorithms are an important means to construct virtual chemical compound spaces on ...
Chemical compounds are usually represented as graph structured data in computers. In this review art...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of al-kanes was...
AbstractThe theory of chemical enumeration can be considered to have reached maturity with the works...
Nonredundant and exhaustive generation of stereoisomers of a chemical compound with a specified cons...
Chemical compounds are usually represented as graph structured data in computers. In this review art...
AbstractExhaustive and nonredundant constructive enumeration of molecular graphs (vertex colored mul...
A simple and fast algorithm for enumerating alkene isomers is described. This algorithm is based on ...
Nonredundant and exhaustive generation of stereoisomers of a chemical compound with a specified cons...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of alkanes was ...
The theory of chemical enumeration can be considered to have reached maturity with the works by Bala...
In the chemical community the need for representing chemical structures within a given family and of...
Background: Drug discovery and design are important research fields in bioinformatics. Enumeration o...
AbstractChemical compounds are usually represented as graph structured data in computers. In this re...
Abstract. The algorithms are developed for computer enumeration and gener-ation of isomeric acyclic ...
Graph generation algorithms are an important means to construct virtual chemical compound spaces on ...
Chemical compounds are usually represented as graph structured data in computers. In this review art...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of al-kanes was...
AbstractThe theory of chemical enumeration can be considered to have reached maturity with the works...
Nonredundant and exhaustive generation of stereoisomers of a chemical compound with a specified cons...
Chemical compounds are usually represented as graph structured data in computers. In this review art...
AbstractExhaustive and nonredundant constructive enumeration of molecular graphs (vertex colored mul...
A simple and fast algorithm for enumerating alkene isomers is described. This algorithm is based on ...
Nonredundant and exhaustive generation of stereoisomers of a chemical compound with a specified cons...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of alkanes was ...
The theory of chemical enumeration can be considered to have reached maturity with the works by Bala...