Results 281 to 290 of about 40,391 (296)

Chemical Graph Theory

2018
openaire   +2 more sources

Applications of Chemical Graph Theory to Organic Molecules

2011
The full combinatorial search algorithm and the greedy search algorithm have been used on a set of molecular connectivity indices, five experimental parameters and the molar mass to extract the best descriptor for 12 properties of a set of organic solvents.
openaire   +1 more source

Predicting the acute ecotoxicity of chemical substances by machine learning using graph theory

Chemosphere, 2020
Michiyoshi Takata, Bin-Le Lin, Mianqiang Xue   +2 more
exaly  

Chemical applications of graph theory

Journal of Molecular Structure, 1977
openaire   +1 more source

Chemical graph theory andn-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons

Journal of Computational Chemistry, 2007
Marcos Mandado, Ricardo A Mosquera
exaly  

Chemical Graph Theory

2008
openaire   +1 more source

Computational Chemical Graph Theory

Journal of Molecular Structure, 1993
openaire   +1 more source

Application of Graph Theory to Cost‐Effective Fire Protection of Chemical Plants During Domino Effects

Risk Analysis, 2017
Nima Khakzad, Gabriele Landucci, Genserik Reniers   +2 more
exaly  

Ante Graovac and Chemical Graph Theory.

Ars Math. Contemp., 2016
Fowler, Patrick W., Pisanski, Tomaž
openaire   +2 more sources

Chemical Graph Theory of Fullerenes

2005
openaire   +1 more source