Dear Michel, Jerry and Loet,

Welcome back to the fray, Jerry, but I recall a kind of "gentlemen's 
agreement" we made at our meeting in Liège, namely, that I can find a place 
for your theory, but you should reciprocally find a place for mine! In the 
following, I will try to disentangle two major issues in the recent 
exchanges.

1. Jerry's theory of Perplex Numbers, underlying his comments, is not a 
physical theory. It is a model derived from some of the numerical 
characteristics of the atomic structure of elements due in reality to 
underlying physical constraints (e.g., the Pauli Exclusion Principle).

2. Mathematics captures some of the "essential features of the information 
content of chemical structures" but by no means all of them. Are the 
dynamics of atomic and chemical structures, and their potential for reaction 
not also information?

3. There is no problem in talking about "parity of iconic representations" 
as irregular, but if you say electrical, you bring in physics, the iconic 
representations are no longer applicable, and "modern chemical logic and 
category theory" are no longer adequate.

4. No "practice of mathematics" or proof theory could have applied to the 
results of my own research nor could apply to recent major advances in, say, 
organometallic catalytic chemistry (see any recent issue of SCIENCE). 
Combinatorial chemistry and its efficacy for screening, in which I see Jerry 
was personally successful, is only one, limited domain of chemistry.

5. Jerry's critique of Loet is perhaps justified, and I will pass on the 
debate as whether chemoinformatics is a part of information theory or not. 
My view is that talking about the "identity of matter" and three-tailed 
Peircean graphs is diversionary. Jerry understates Rosen's contribution, 
even if he is correct about the chemoinformatics aspects. Rosen's work is 
valuable because his vision went beyond thermodynamic considerations to 
concepts like anticipation which underlie some current systems approaches.

6. To conclude, the "physical basis of chemical logic" may be well 
understood, but this "chemical logic" is an abstract, partial model of what 
is going on. It cannot be an adequate basis for the informational processes 
that occur in real chemical systems.

7. Loet and I can get back to a "debate" about morphology and information 
theory on other grounds. As a reminder, on Oct. 14 Loet wrote: "It seems to 
me that the issue of morphology and its evolution is a red herring in a 
discussion about information theory. A shape (e.g., a network) can be 
described as a graph or also numerically. This numerical description can 
easily be evaluated in terms of information theory. Information theory, also 
offers options to develop measures for the evolution over time (such as, 
Kullback-Leibler divergence, cf. Theil (1972).)" This statement implies that 
morphology or shapes cannot be dynamic processes and, again, if not fully 
describable mathematically are "lost" to information theory. This takes us 
back to the question of the primacy of quantitative over qualitative 
properties, or, better, over qualitative + quantitative properties. This for 
me is the real area for discussion, and points to the need for both lines 
being pursued, without excluding either.

Thank you and best wishes,

Joseph

----- Original Message ----- 
From: "Michel Petitjean" <petitjean.chi...@gmail.com>
To: <fis@listas.unizar.es>
Sent: Monday, October 17, 2011 1:39 PM
Subject: Re: [Fis] Chemo-informatics as the source of morphogenesis - both 
practical and logical.


Dear Loet and dear Jerry,

2011/10/17 Loet Leydesdorff <l...@leydesdorff.net>:
> Dear Jerry,
>> ...
> It may be easiest to raise some questions:
>
> 1. What is the equivalent in chemo-informatics of a bit of information? 
> Can
> this be operationalized as a formula like Shannon's H?
> 2. Can one compute with this formula in fields other than chemistry? For
> example, in economics; without using metaphors? ("As if")
> ...

If (1) can be answered, thus chemoinformation enters in the field of
information theory. That would be a very strong result.
Alas, I am afraid that it can't. Sets of flexible 3D realized graphs
seem hard to give raise ti bits of information.
But I didn't proved that. Who knows, if a good mathematician can
answer to (1), it would be a great advance in the field.
And I did not speak about (2) ...

Best,
Michel.
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