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Dendral Expert system
8/13/2013
1
Presented By:
Group No:-2
8/13/2013
2
OUTLINE
1. Meaning of Dendral
2. Inventors
3. History
4. Heuristic Dendral
5. Meta Dendral
6. Working
7. Plan-test-generate paradigm
8. Knowledge engineering
9. Disadvantages
10. Conclusion
8/13/2013
3
Dendral was an influential pioneer project inartificial intelligence
(AI) of the 1960s, and the computer software expert system that it
produced.
 The name Dendral is a portmanteaux of the term
“Dendritic Algorithm“
 Its primary aim was to help organic chemists in identifying
unknown organic molecules, by analyzing their mass spectra
using knowledge of chemistry.
Meaning of Dendral
8/13/2013
4
Inventors:
It was done at Stanford University by Edward
Feigenbaum, Bruce Buchanan, Joshua
Lederberg (a Nobel prize winner in genetics)
and Carl Djerassi. It began in 1965 and spans
approximately half the history of AI research.
8/13/2013
5
8/13/2013
6
It was written in Lisp (programming language), which was considered
language of AI.
(john McCarthy, 1958, MIT)
For this in laboratory, three generate and test 'method was used:-
 (possible hypothesis about molecular structure are generated and
tested by matching to actual data).
There was an early realization that experts use certain heuristics to
rule out certain options with possible structures.
It seemed like a good idea to encode that knowledge in a software
system
8/13/2013
7
The software program Dendral is considered the first
expert system because it automated the decision-making
process and problem-solving behavior of organic
chemists.
DENDRAL marked a major paradigm shift´ in AI:
a shift from general AI: a shift from genera
-- Purpose, knowledge purpose, knowledge
-- Sparse weak methods to domain sparse weak
methods
-- Specific, knowledge
-- Intensive techniques intensive techniques
History
8/13/2013
8
The aim of the project was to develop a computer
program to attain the level of computer program to
attain the level of performance of an experienced
human chemist.
The DENDRAL project originated from the
fundamental idea of Expert system
8/13/2013
9
Dendral
It consists of two sub-programs:
 Heuristic-Dendral
 Meta-Dendral
8/13/2013
10
 Heuristic Dendral
Heuristic Dendral is a program that uses mass
spectra with knowledge base of chemistry, to produce
a set of possible chemical structures that may be
responsible for producing the data.
. As the weight increases the molecules become
more complex, the number of possible compounds
increases drastically.
(Example: H2O)
8/13/2013
11
Meta-Dendral
Input - 1) The set of possible chemical structures
2) Corresponding mass spectra
Output- Explain correlation between proposed
structures & mass spectrum.
Thus,
Heuristic Dendral is a performance system
Meta Dendral is a learning system.
The program is based on two important features:
1) the plan-generate-test paradigm
2) knowledge engineering.
8/13/2013
12
WORKING
Heuristic Dendral
Meta Dendral
8/13/2013 13
PLAN – GENERATE - TEST PARADIGM
 It is a problem solving method used by both M.D. &
H.D.
 Aim-When there are large number of possibilities at
that it find a way to put constraints that rules out
large sets of candidate solution.
 “Hypothesis Formation Programe”
“Task specific knowledge”
8/13/2013
14
EXAMPLE-CONGEN
Available Information-
 C1: Empirical Formula- C12H14O.
 C2: Compounds Contains Keto group.
 C3: Three protons to the carbonyl group.
 C4: There are two vinyl group.
 C5: There is no conjugation.
 C6: There are no diallylic protons.
 C7: There are no additional multiple bonds.
 C8: There are no methyl group.
8/13/2013
15
PROCEDURE
 #DEFINE MOLFORM C12H14O.
 #DEFINE SUBSTRUCTURE Z
 #DEFINE SUBSTRUCTURE CH3.
 #DEFINE SUBSTRUCTURE V.
 #GENERATE
 #DRAW ATNAMED1
 #AMBEDED
 #DRAW ATNAMED1
 .
 .
 .
 #EXIT 8/13/2013
16
FINAL OUTPUT
8/13/2013
17
KNOWLEDGE ENGINEERING
 Aim- To attain a productive interaction between the
available knowledge base & problem solution
techniques.
 The first essential component of K.E. is “knowledge
base”.
 It is used to determine the set of possible chemical
structures that corresponds to the input data
 & form new general rules that helps it reduce the
number of candidate solutions.
8/13/2013
18
Derived systems:
Many systems were derived from Dendral, including:-
1. MYCIN
2. MOLGEN
3. MACSYMA
4. PROSPECTOR
5. XCON, and STEAMER
8/13/2013
19
It is a system that does not guarantee
about the solution, but reduces the number of
possible solution by discarding unlikely &
irrelevant solution.
Conclusion
8/13/2013
20
References:
Wikipedia
E-book
8/13/2013
21
Any
Queries
8/13/2013
22
8/13/2013
23

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Presentation1

  • 3. OUTLINE 1. Meaning of Dendral 2. Inventors 3. History 4. Heuristic Dendral 5. Meta Dendral 6. Working 7. Plan-test-generate paradigm 8. Knowledge engineering 9. Disadvantages 10. Conclusion 8/13/2013 3
  • 4. Dendral was an influential pioneer project inartificial intelligence (AI) of the 1960s, and the computer software expert system that it produced.  The name Dendral is a portmanteaux of the term “Dendritic Algorithm“  Its primary aim was to help organic chemists in identifying unknown organic molecules, by analyzing their mass spectra using knowledge of chemistry. Meaning of Dendral 8/13/2013 4
  • 5. Inventors: It was done at Stanford University by Edward Feigenbaum, Bruce Buchanan, Joshua Lederberg (a Nobel prize winner in genetics) and Carl Djerassi. It began in 1965 and spans approximately half the history of AI research. 8/13/2013 5
  • 7. It was written in Lisp (programming language), which was considered language of AI. (john McCarthy, 1958, MIT) For this in laboratory, three generate and test 'method was used:-  (possible hypothesis about molecular structure are generated and tested by matching to actual data). There was an early realization that experts use certain heuristics to rule out certain options with possible structures. It seemed like a good idea to encode that knowledge in a software system 8/13/2013 7
  • 8. The software program Dendral is considered the first expert system because it automated the decision-making process and problem-solving behavior of organic chemists. DENDRAL marked a major paradigm shift´ in AI: a shift from general AI: a shift from genera -- Purpose, knowledge purpose, knowledge -- Sparse weak methods to domain sparse weak methods -- Specific, knowledge -- Intensive techniques intensive techniques History 8/13/2013 8
  • 9. The aim of the project was to develop a computer program to attain the level of computer program to attain the level of performance of an experienced human chemist. The DENDRAL project originated from the fundamental idea of Expert system 8/13/2013 9
  • 10. Dendral It consists of two sub-programs:  Heuristic-Dendral  Meta-Dendral 8/13/2013 10
  • 11.  Heuristic Dendral Heuristic Dendral is a program that uses mass spectra with knowledge base of chemistry, to produce a set of possible chemical structures that may be responsible for producing the data. . As the weight increases the molecules become more complex, the number of possible compounds increases drastically. (Example: H2O) 8/13/2013 11
  • 12. Meta-Dendral Input - 1) The set of possible chemical structures 2) Corresponding mass spectra Output- Explain correlation between proposed structures & mass spectrum. Thus, Heuristic Dendral is a performance system Meta Dendral is a learning system. The program is based on two important features: 1) the plan-generate-test paradigm 2) knowledge engineering. 8/13/2013 12
  • 14. PLAN – GENERATE - TEST PARADIGM  It is a problem solving method used by both M.D. & H.D.  Aim-When there are large number of possibilities at that it find a way to put constraints that rules out large sets of candidate solution.  “Hypothesis Formation Programe” “Task specific knowledge” 8/13/2013 14
  • 15. EXAMPLE-CONGEN Available Information-  C1: Empirical Formula- C12H14O.  C2: Compounds Contains Keto group.  C3: Three protons to the carbonyl group.  C4: There are two vinyl group.  C5: There is no conjugation.  C6: There are no diallylic protons.  C7: There are no additional multiple bonds.  C8: There are no methyl group. 8/13/2013 15
  • 16. PROCEDURE  #DEFINE MOLFORM C12H14O.  #DEFINE SUBSTRUCTURE Z  #DEFINE SUBSTRUCTURE CH3.  #DEFINE SUBSTRUCTURE V.  #GENERATE  #DRAW ATNAMED1  #AMBEDED  #DRAW ATNAMED1  .  .  .  #EXIT 8/13/2013 16
  • 18. KNOWLEDGE ENGINEERING  Aim- To attain a productive interaction between the available knowledge base & problem solution techniques.  The first essential component of K.E. is “knowledge base”.  It is used to determine the set of possible chemical structures that corresponds to the input data  & form new general rules that helps it reduce the number of candidate solutions. 8/13/2013 18
  • 19. Derived systems: Many systems were derived from Dendral, including:- 1. MYCIN 2. MOLGEN 3. MACSYMA 4. PROSPECTOR 5. XCON, and STEAMER 8/13/2013 19
  • 20. It is a system that does not guarantee about the solution, but reduces the number of possible solution by discarding unlikely & irrelevant solution. Conclusion 8/13/2013 20