Mathematical Chemistry

Write4U

Valued Senior Member
Mathematical chemistry
In 2005 the International Academy of Mathematical Chemistry (IAMC) was founded in Dubrovnik (Croatia) by Milan Randić. The Academy has 82 members (2009) from all over the world, including six scientists awarded with a Nobel Prize.

The basic models for mathematical chemistry are molecular graph and topological index.

200px-Caffeine_structure.svg.png
Molecular structure of caffeine.

https://en.wikipedia.org/wiki/Molecular_graph

Chemical graph generator
A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics.
Chemical graph generators are used in areas such as virtual library generation in drug design, in molecular design with specified properties, called inverse QSAR/QSPR, as well as in organic synthesis design, retrosynthesis or in systems for computer-assisted structure elucidation (CASE). CASE systems again have regained interest for the structure elucidation of unknowns in computational metabolomics, a current area of computational biology.
400px-Overlapping_Structures.svg.png
Overlapping substructures of caffeine.
Two substructures of a caffeine molecule are given, (A) and (B). The overlap of these substructures is highlighted in green in the caffeine structure (C).


https://en.wikipedia.org/wiki/Chemical_graph_generator

More in microtubule thread....:)
 
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There is no mathematics here.

The International Academy of Mathematical Chemistry looks, from its website, here: http://iamc-online.org/who_we_are/index.htm, like a crank set-up, complete with paranoia about the "Establishment". It seems to have done nothing since its foundation: no courses, no publications, no records of papers presented at conferences, nothing. The website also has the usual riot of fonts and colours characteristic of crank websites - clearly not a professional design.

My guess is Write4U decided to trawl the internet and post whatever random shit he came up with - and then give a gratuitous plug for his crank thread on microtubules. :rolleyes:

(If you want to see what real mathematical chemistry looks like, you could look at these, by my old tutor in maths for chemists:https://www.researchgate.net/scientific-contributions/R-B-Mallion-71811297 ;))
 
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There is no mathematics here.

The International Academy of Mathematical Chemistry looks, from its website, here: http://iamc-online.org/who_we_are/index.htm, like a crank set-up, complete with paranoia about the "Establishment". It seems to have done nothing since its foundation: no courses, no publications, no records of papers presented at conferences, nothing. The website also has the usual riot of fonts and colours characteristic of crank websites - clearly not a professional design.
Thanks for checking this out.
My guess is Write4U decided to trawl the internet and post whatever random shit he came up with - and then give a gratuitous plug for his crank thread on microtubules. :rolleyes:
Seems to have paid off, indirectly. Found a goldmine of information about microtubules on ResearchGate.
(If you want to see what real mathematical chemistry looks like, you could look at these, by my old tutor in maths for chemists:https://www.researchgate.net/scientific-contributions/R-B-Mallion-71811297 ;))
I did and found very similar examples of mathematical chemistry as I quoted from the "crank" website.

Here is an example from the ResearchGate link.

Figure - available from: Journal of Mathematical Chemistry

Left-Azulene-with-10-p-electron-conjugated-circuit-Right-Derivative-of.png

Left: Azulene with 10 π-electron conjugated circuit, Right: Derivative of dicyclopenta[a,e]cyclooctene with 14 π-electron conjugated circuit

https://www.researchgate.net/figure...ed-circuit-Right-Derivative-of_fig1_327796721
 
Last edited:
There is no mathematics here.

The International Academy of Mathematical Chemistry looks, from its website, here: http://iamc-online.org/who_we_are/index.htm, like a crank set-up, complete with paranoia about the "Establishment". It seems to have done nothing since its foundation: no courses, no publications, no records of papers presented at conferences, nothing. The website also has the usual riot of fonts and colours characteristic of crank websites - clearly not a professional design.

My guess is Write4U decided to trawl the internet and post whatever random shit he came up with - and then give a gratuitous plug for his crank thread on microtubules. :rolleyes:

(If you want to see what real mathematical chemistry looks like, you could look at these, by my old tutor in maths for chemists:https://www.researchgate.net/scientific-contributions/R-B-Mallion-71811297 ;))
Write for you is a girl
 
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