Add to ORKGAbstract. The algorithms are developed for computer enumeration and gener-ation of isomeric acyclic structures (alkanes, alkenes, alkynes, alkanols, alkanals, alkanones, etc.), benzenoid hydrocarbons, and aza—benzenoids. They are based on the common strategy which consists of representing a giv-en structure by an integers sequence and the use of the induced order no-tion
Motivation. Unique representation of adjacency matrix of a labeled chemical structure, a graph, is o...
Abstract The generation of constitutional isomer chemical spaces has been a subject of cheminformati...
Computer Chemistry is of quickly increasing importance, in particular since the flood of data is rap...
In the chemical community the need for representing chemical structures within a given family and of...
A simple and fast algorithm for enumerating alkene isomers is described. This algorithm is based on ...
The need to generate graphs representing chemical structures suggested the use of computer and as a...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of al-kanes was...
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...
AbstractThe theory of chemical enumeration can be considered to have reached maturity with the works...
A computer program is described which generates IUPAC names (von Baeyer names) and the corresponding...
Henze and Blair [2] have successfully derived algorithms for enumerating the number of constitutiona...
Alkanes are saturated hydrocarbons with chemical formula, wich has degree 4. The number compounds al...
Previous studies have shown that alkyl 1,1-biradicals could be used to enumerate the constitutional ...
Graph generation algorithms are an important means to construct virtual chemical compound spaces on ...
Motivation. Unique representation of adjacency matrix of a labeled chemical structure, a graph, is o...
Abstract The generation of constitutional isomer chemical spaces has been a subject of cheminformati...
Computer Chemistry is of quickly increasing importance, in particular since the flood of data is rap...
In the chemical community the need for representing chemical structures within a given family and of...
A simple and fast algorithm for enumerating alkene isomers is described. This algorithm is based on ...
The need to generate graphs representing chemical structures suggested the use of computer and as a...
The problem of exhaustive and non-redundant generation of formulas of chiral isomers of al-kanes was...
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...
AbstractThe theory of chemical enumeration can be considered to have reached maturity with the works...
A computer program is described which generates IUPAC names (von Baeyer names) and the corresponding...
Henze and Blair [2] have successfully derived algorithms for enumerating the number of constitutiona...
Alkanes are saturated hydrocarbons with chemical formula, wich has degree 4. The number compounds al...
Previous studies have shown that alkyl 1,1-biradicals could be used to enumerate the constitutional ...
Graph generation algorithms are an important means to construct virtual chemical compound spaces on ...
Motivation. Unique representation of adjacency matrix of a labeled chemical structure, a graph, is o...
Abstract The generation of constitutional isomer chemical spaces has been a subject of cheminformati...
Computer Chemistry is of quickly increasing importance, in particular since the flood of data is rap...