Re: [Fis] Chemical information: a field of fuzzy contours ?

2011-09-23 Thread Michel Petitjean
Dear FISers,

Pedro raises several points.
Among them:

1. Chemoinformatics or Cheminformatics ?
Both terms are encountered. I would say that unless some authority
takes a decision, both terms will continue to be used.

2. Despite I gave an example of what could be cheminformation in a
concrete case, I did not tell what was exactly cheminformation in this
concrete case. I just asked the question of what it could be.
Now, I ask you the following: please can you provide an extremely
simple example (the most simple you could imagine) of situation in
which you can say:  in this situation, information is ... .
Chemical information is welcome, but an example from physics would be
great, too. However, please, no biology example, that will be dicussed
at the occasion of a future session.
These examples are expected to help us to define information in more
general situations.

3. The comparison Pedro did with symmetry is of interest: can anyone
define symmetry ?
During a long time, symmetry had in common with information that many
people attempted to define it in its own field, giving raise to many
particular definitions, but not to a common and widely accepted one.
Some years ago, although I needed to mention a definition of symmetry
in one of my papers, I was surprised that I could not find an unifying
one (symmetry is known since millenaries!!). Even in the book of Weyl
I did not find the expected one.
So, I decided to build my own one (Symmetry: Culture and Science,
2007, 18[2-3], 99-119; free reprint at
http://petitjeanmichel.free.fr/itoweb.paper.SCS.2007). See also:
http://petitjeanmichel.free.fr/itoweb.petitjean.html
In fact, the group structure which is generally a priori imposed, is a
consequence of several properties that the definition should satisfy
to be in agreement with some obvious intuitive requirements (and so,
five different groups appear naturally, none of them being imposed a
priori). Of course, the proposed unifying definition applies to a
broad spectrum of situations, not only the geometric one: matrices,
functions, distributions, graphs, etc.
But that was possible because I already had knowledge of the many
definitions in particular domains or situations.

Thus I expect that that you will post several examples of information
in very simples cases.
From the analysis of these situations we should move forward.

E.g., for symmetry, one of the simple examples I gave was the set of
three points of the real line: if one point is the mid of the two
other, there is symmetry (in fact, it is a case of achirality, i.e.
indirect symmetry, because here we deal with reflections rather than
with rotations).
It would be great to have so simple situations for information in
chemistry or physics.

Thanks by advance,
ll my best,

Michel.

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Re: [Fis] Chemical information: a field of fuzzy contours ?

2011-09-23 Thread Robin Faichney
Friday, September 23, 2011, 1:07:07 PM, Michel wrote:

 Now, I ask you the following: please can you provide an extremely
 simple example (the most simple you could imagine) of situation in
 which you can say:  in this situation, information is ... .
 Chemical information is welcome, but an example from physics would be
 great, too.

I'm no physicist but I'm interested in physical information. It
continues to amaze me how little attention is paid by most
non-physicists to the very well established concept of information in
physics.

Of course, there is no law or formula that relates a bit of
information to, say, quarks, spin, or whatever. These are different
ways of looking at the same thing. Spin is a bit of information (I
think it's just one bit, but I might be wrong, as I said, I'm no
physicist.)

Physical information is a re-conceptualisation of material form that
allows it to be quantified. So, for example, physicists can (and do)
say that information is generally conserved within black holes. (See
the Black Hole Information Paradox, and the bet between physicists
concerning it,
http://www.theory.caltech.edu/~preskill/jp_24jul04.html)

Now, there is obviously more to semantic information than material
form, but it is my strongly-held belief that it should be possible to
relate all other concepts of information back to physical information,
and, in fact, I have proposed a way of doing that for semantic
information, which I presented at the DTMD2011 workshop (I've also
mentioned it in previous posts on this list), but I'll say no more
about it here, because I think that's going too far off the current
topic.

-- 
Robin Faichney
http://www.robinfaichney.org/

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Re: [Fis] Chemical information: a field of fuzzy contours ?

2011-09-23 Thread Xueshan Yan
Dear Michel,

It is very interesting for you telling us so many stories
about the study of chemical information which took place in
France and your university.

As an information researcher, I once was invited to deliver
a speech on Information Science at a meeting about
chmoinformatics here a few years ago; I found their
interests are far different from mine. Their main concerns
are what information technology can be applied to
chemistry――It seems as if you like this one according to
your introductory post.But what we are eager to know is
where the chemical information exists and how it functions
between two molecules or supermolecules. As a matter of
fact, I found there are three kinds of studies about
information in chemistry.

1. Chmoinformatics: A study about how to manage and compute
chemical information, such as management of chemical
abstracts, retrieval of chemical information through
internet, molecules represented by graphs, data mining etc.
there are many books like this in the bookstore. Of course,
this may not be a subject that could arouse real interests
among true information researchers, because there are
thousands of applications of information technology in
different areas, it is difficult for us to call all these
applications of information technology as informatics or
information science.

2. Chmoinformatics: A study about how chemical information
function between two molecules or two supermolecules,
according to the terms in biology and chemistry: between
substrate and receptor, or in coordination chemistry:
between donor and acceptor, or host and guest, we can only
consider this thought as a conjecture which proposed by
Jean-Marie Lehn of University Louis Pasteur――the noble
prize winner of 1987. As a matter of fact, we all know that
in the process of molecule reaction and recognition, an
intelligent is in esse. This has been proved by Fischer’s
lock-and-key model early in 1894.

3. Semiochemistry: A study about chemical information
materials that mediate interactions between members of
different species. This study consider pheromone, quinonyl
compounds etc. as messengers. It is an interdiscipline of
chemistry and biology.

We especially want to know what advance about the second
study about chemical information in chemists has made recent
years. Because Lehn said in many places: “Supramolecular
chemistry (chmoinformatics) has paved the way toward
apprehending chemistry as an information science”.

Best wishes,
Xueshan Yan
Peking University, FIS Beijing Group


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