Talk:Molecular graph

message: Very incorrect definition! Please, compare with “Molecular graph” article translated from Russian Wiki:
:Molecular graph is connected undirected graph one-to-one corresponded to structural formula of  chemical compound so that vertices of the graph correspond to atoms of the molecule and edges of the graph correspond to chemical bonds between these atoms. The concept of  the molecular graph is basic concept for computer chemistry and chemical informatics. Like structural formula the molecular graph is a model, and as every model it is incomplete in some detail. In contrast with  structural formula the vertices of molecular graph may be unlabeled, in this case molecular graph represents only structure (but  not elemental composition) of the molecule. Also, the edges of the graph may be unlabeled, in this case distinctions for the multiple bonds are omitted. Very often the molecular graph represents carbon skeleton of molecule only. This level of abstraction is very useful for solving different chemical tasks by computer.
:References.
:Chemical Applications of Topology and Graph Theory, ed. by R. B. King, Elsevier, 1983.
For example, molecular graphs may be used to calculate  topological index, but neither  Wiener index, nor Hosoya index etc is defined for colored vertices and for colored edges.--Tim32 11:03, 15 November 2007 (UTC)
replies: text: What exactly do you think is wrong with the definition? --Itub 11:23, 15 November 2007 (UTC)

text: I think you may be misunderstanding the meaning of "colored". It is a technical term synonymous with labeling. A "colored graph" is one where the nodes have a type (whether it is literally a color, or in the case of chemistry typically an atomic number or atom type). Note that the term "colored" is used in the IUPAC definition. --Itub 13:00, 15 November 2007 (UTC)

text: The term chemical graph is used in many books, so it is not wrong. It's just a synonym for what you call molecular graph. Regarding the one-to-one correspondence and the non-directedness, you have a point that those properties should be specified in the article. However, not all chemical graphs are connected. You can perfectly well have a graph for an ion pair or nonbonded complex. --Itub 13:05, 15 November 2007 (UTC)

text: You have an extremely limited vision of the concept of molecular graph. Computing the Wiener index is just one minor application. Molecular graphs are used in all chemical databases for storing structures and searching them, they are used by chemical drawing software, they are used in computer aided organic synthesis, they are used for canonicalization, for chemical file formats, line representations of molecules, isomer enumeration, and probably at least a couple of dozen other applications. All of the applications I mentioned require colored graphs, and most of them use disconnected graphs. I'll go with the definition given by IUPAC and every single textbook I've seen over your idea of what the "standard definition" is. --Itub 11:03, 16 November 2007 (UTC)
thread_title: Definition

message: Here you again, engaging in endless discussions. Please  find reliable sources and write some article text, for God's sake. I did not invent the definition. I provided my references. If you have other researchers who stick to other definitions, please add them. I see nothing unusual nor a big scientific disaster that different people use somewhat differing definitions.
BTW you wrote "Neither  Wiener index, nor Hosoya index etc is defined for colored vertices and for colored edges" It is a misleading statement. The correct statement is "The definiton  of Wiener index ignores colors of vertices". I've seen many more similar logical fallacies in your talks. I will not comment on them unless you try to put them into article text. `'Míkka>t 19:00, 16 November 2007 (UTC)
replies: text: In 16:14, 13 November 2007, Míkka wrote in Talk:Mathematical chemistry#Computer chemistry:  "Clearly both terms (and throw chemical graph theory in here) are neologisms, possibly adoped by certain schools, and to figure out what calls what requires real experts in the field who know the history and the inside movements." Dear Míkka, I see from that time you are becoming a real expert in computer chemistry. My congratulations! About the link. Yes, I have other researchers. For example, please, see my article: Trofimov M. I., An Optimization of Procedure for Calculation of Hosoya's Index, J. Math. Chem., 1991, 8, 327. ---- Tim32 (talk) 20:23, 16 November 2007 (UTC)
replies: text: Chukcha not reader, chukcha writer. I don't want to read your chemical articles. I want you to write wikipedia articles. I wrote this one for the sole reason that you prefer bickering in talk pages rather than writing wikipedia articles. `'Míkka>t 23:17, 16 November 2007 (UTC)
replies: text: Don't be a "chukcha" - read anything before writing;) You wrote the Hosoya index article just after I had inserted its definition to the matching aricle.--Tim32 (talk) 09:43, 17 November 2007 (UTC)
thread_title: to Tim32