of possible fragmentation processes, the consideration by MOLION of
all plausible possibilities, and the structure generation
capabilities of CONGEN.

we have also tried to reduce chemists” disbelief by blurring the
"outsider-insider" distinction, in particular by having trained
chemists work on the programs and make them useful to themselves
first. Further, when "outside" chemists are first introduced to the
programs, the introduction is done by another chemist who has already
thought through and can readily explain many of the chemistry-related
problems. :

The ultimate way to counter disbelief, however, is to illustrate
high levels of performance. If a potential user is aware of the
goals (intent) of a program and its limitations, a few examples of
results which would be extremely difficult to obtain without the
program are very convincing.

The "security" of a local facility. Networking is still a
relatively new concept to many people, and there is a resistance to
departing from the "traditional" modes of computing. There is a
sense of security in having a local computing facility with
knowledgeable consultants within walking distance, and in having
"hard" forms of input (eg, boxes of computer ecards) and output (eg,
yoluminous listings). These props are difficult to simulate over a
network connection - in most cases a user’s interaction with the
remote site takes place exclusively through a computer terminal - yet
the quality of service can match or exceed that of a local facility;
programs and large data sets can be entered and stored on secondary
storage as can large output files; all types of program and data
editing can be done with interactive editing programs; programs can
be written in an interactive mode so that small amounts of control
information can be input and key results output in "real time" over
the terminal; And as noted in a previous section, consultation can be
significantly more productive providing that the remote operating
system supports the appropriate types of communication possibilities.

There can, of course, be no denying that there are problems in
learning to use a distant computer system, be it for program
development or for the use of certain programs. Whether or not
overcoming these problems to gain access to the special resources
which are available, is worth the effort, is a question answerable
only by the individuals involved. Fortunately, there will always be
those persons who have a pressing problem in need of solution and who
are willing to try a new approach; regardless of whether or not they
have had prior network experience.

The SUMEX-AIM Facility

The SUMEX-AIM computer facility consists of a Digital Ecuipment
Corporation model KI-16 central processor operating under the TENEX
time sharing monitor. It is located at Stanford University Medical
Center, Stanford, California.

The system has 256K words (36 bit) of high speed memory; 1.6
million words of swapping storage; 7@ million words of disk storage;
two 9-track, 89@ bpi industry compatible tape units; one dual
DEC-tape unit; a line printer; and communications network interfaces
providing user terminal access via both TYMNET and ARPANET.

Software support has evolved, and will continue to evolve, based
on user research goals and requirements. Major user languages
currently include INTERLISP, SAIL, FORTRAN-10, BLISS-10, BASIC and
MACRO-1@. Major software packages available include OMNIGRAPH, for
graphics support of multiple terminal types, and MLAB, for
mathematical modelling.

The SUMEX-AIM computer generally is left with no operator in
attendance; thereby helping to eliminate some overhead, but also
creating some problems. Users who wish to run jobs requiring tapes
must make arrangements to mount their own tapes. Likewise, obtaining
listings from the line printer can be somewhat difficult since there
is no regular schedule for distribution of this output. The solution
to these two problems has been to make keys to the machine room
avallable at strategic locations, convenient to all groups of local
users. This experiment in basic "resource sharing" has not resulted
in any of the major problems one might expect from having a fairly
large group of people with hands-on access to a computer.

REFERENCES
1-3 TO BE ADDED

(4) J. Lederberg, G.L. Sutherland, B.G. Buchanan,

E.A. Feigenbaum, A.V. Robertson, A.M. Duffield, and C. Djerassi,
J. Amer. Chem. Soc., 91, 2973 (1969).

(5) A.M. Duffield, A.V. Robertson, C. Djerassi,

B.G. Buchanan, G.L. Sutherland, E.A. Feigenbaum, and J. Lederberg,
J. Amer. Chem. Soc., 91, 2977(1969).

(6) B.G. Buchanan, A.M. Duffield and A.V. Robertson, "Mass Spectrometrv:
Techniques and Applications", G.W.A. Milne, Ed., John Wiley and
Sons, 1971, p.121].

(7) R.G. Dromey, unpublished results, preprint available
on request, Dept. of Computer Science, Serra House, Stanford
University, Stanford, Calif. 94395.

(8) J.E. Biller and K. Biemann, Anal. Lett., 515 (1974).

(9) Several libraries of mass spectral data are available
in various forms. The Aldermaston Data Centre (see the
"Mass Spectrometry Bulletin") can provide information on
the availability of such libraries.

(lu) H.S. Hertz, R.A. Hites, and K. Biemann, Anal,. Chem.
43, 681, (1971).
(11) R.G. Dromey, B.G. Buchanan, D.H. Smith, J. Lederberg,
and C. Djerassi, J. Org. Chem., 48, 778 (1975).

(12) D.H. Smith, B.G. Buchanan, R.S. Engelmore, A.M. Duffield,
A. Yeo, £.A. Feigenbaum, J. Lederberg and C. Djerassi, J. Amer. Chem. Soc.
94, 5962 (1972). ,

(13) D.H. Smith, B.G. Buchanan, R.S. Engelmore, H. Adlercreutz,
and C. Djerassi, J. Amer. Chem. Soc., 95, 6078 (1973).

(14) D.H. Smith and R.E. Carhart, Abstracts, 169th Meeting

of the American Chemical Society, Philadelphia, April 6-1l, 1975
(15) R.E. Carhart, D.H. Smith, H. Brown and C. Djerassi,

J. Amer. Chem. Soc., submitted for publication.

(16) L.M. Masinter, N.S. Sridharan, J. Lederberg and

D.H. Smith, J. Amer. Chem. Soc., 96, 7702 (1974)

(17) L.M. Masinter, N.S. Sridharan, R.E. Carhart and D.H. Smith, J.
Amer. Chem. Soc., 96, 7714 (1974).

(18) H. Brown, SIAM Journal of Computing, submitted for
publication.

(19) W.T. Wipke and T.M. Dyott, J. Amer. Chem. Soc.,
96, 4825 (1974).

(286) b. H. Smith, B. G. Buchanan, W. C. White, E. A. Feigenbaum,
C. Djerassi and J. Lederberg, Tetrahedron, 29, 3117(1973).

(21) R.E. Carhart, D.H. Smith, and H. Brown, J. Chem. Inf. Comp.
Sci., in vress (May, 1975).

(22) D.H. Smith, Anal. Chem., in press (May 1975).

Figure Captions

Figure 1. Interactions in the SUMEX-AIM community

Figure 2. Access to SUMEX-AIM

Figure 3. Total ion current vs. spectrum number in a GC/LRMS run

Figure 4, The spectrum corresponding to scan 492 in Figure 3. (top)
Raw data. (bottom) Output from CLEANUP

Figure 5. Low resolution mass spectrum of unknown X. The indicated
superatoms were deduced from the spectrum and a knowledge of
the chemical history of the sample. With these and other
constraints, CONGEN obtained the indicated results.
 

 

OTHER
RESEARCH
PROJECTS

Exchange
of research

and ideas

 

 

Fig. |

e—oorams 4
programs PROJECT

————

RESEARCH

 

 

 

Suaqgested
developments

use of
Production
programs

 

7

 

PROJECT-RELATED
USER COMMUNITY

 

 
; a SUMEX
aa jd
“
oom ao Local Direct NN eS
es Phone Lines 7 |
Hjeane “| TYMNET
| Local Users| kh

ARPANET | 7 Lines

| ARPANET | Local tocal TYMNET
CCESS __| pEvore users |——~eS =» | ACCESS

A icine
POINT Call Cell POINT

 

 

 

 

 

i
|
|
|

Fig. 2.

Figure 3. GC Trace (to be supplied)
Figure 4. Two Mass Spectra (to be supplied)

Figure 5. Mass Spec of Unknown (to be supplied)
Figure 3

CH, -COCTH 4

W- Czy Heo
Aen tr

 

 

 

 

 
Figure 4

208

CH COOH

{SB

hall

peepee reper spre

 

 

188

19)

 

 

 

me ul lll

 

 

 

 

 

Ba

7S
S@
25

seep pee PE TEESE

182

 

TTT
eee eee pee |

 

a
Sa

208

1S@

SU

CLEAN SPECTRUM

W247 26-DEC-74

SPECTRUM NO.

EXP.

432
Figure 5

 

 

 

1007
€ 194
= a 4
& { -! Lil Ll ! | t 1 iT 162 | | im 263
50 100 150 200 250
mie
SUPERATOMS CONGEN RESULT

n-GHpoc- 1

CE, CO

Ino

CG H 5

|
CO
3

3
The undersigned agrees to accept responsibility for the scientific
and technical conduct of the project and for provision of required
progress reports if a grant fs awarded as the result of this
application.

SL 9) 7S

Date Principal /Investigator or
Project Dfrector

 
B.

SUMMARY OF RESOURCE USAGE

The outside uses of our resource-related
research are listed in Part II! of the Description

of Progress (section I1-A).
11.C. RESOURCE RELATED RESEARCH EQUIPMENT LIST

EQUIPMENT SUMMARY

1) MM11-U Memory Module $45,372
PDP 11/45 CM Central Processor (Ser. 5200)
FP11-B Floating Point Processor
TM11-EA Nine Channel Magnetic Tape Drive
and Controller

2) Systems Industries PDP Model 20 or 45 11,622
compatible disk system
Model 3040 Controller
Daisy Chain Option
Certified Disk Pack

3) GT 40AA Display System 115V 14,359
4) M792 32 word Diode Memory for PDP 11 (4) 1,359
5) Disk Pack 268
6) E-30-2004 RB Bud Cabinet 322

$73, 302
D. SUMMARY OF PUBLICATIONS

(1) J. Lederberg, "DENDRAL-64 - A System for Computer Construction,
Enumeration and Notation of Organic Molecules as Tree Structures and
Cyclic Graphs", (technical reports to NASA, also available from the
author and summarized in (12)). (la) Part I. Notational algorithm
for tree structures (1964) CR.57029 (lb) Part II. Topology of cyclic
graphs (1965) CR.68898 (lc) Part IIl. Complete chemical graphs;
embedding rings in trees (1969)

(2) dd. Lederberg, “Computation of Molecular Formulas for Mass
Spectrometry", Holden-Day, Inc. (1964).

(3) J. Lederberg, "Topological Mapping of Organic Molecules", Proc. Nat.
Acad. Sci., 53:1, January 1965, pp. 134-139.

(4) J. Lederberg, "Systematics of organic molecules, graph topology and
Hamilton circuits. A general outline of the DENDRAL system." NASA
CR-48899 (1965)

(5) J. Lederberg, “Hamilton Circuits of Convex Trivalent Polyhedra (up
to 18 vertices), Am. Math. Monthly, May 1967.

(6) G. L. Sutherland, "DENDRAL - A Computer Program for Generating and
Filtering Chemical Structures", Stanford Artificial Intelligence
Project Memo No. 49, February 1967.

(7) gd. Lederberg and £. A. Feigenbaum, “Mechanization of Inductive
Inference in Organic Chemistry", in 8B. Kleinmuntz (ed) Formal
Representations for Human Judgment, (Wiley, 1968) (also Stanford
Artificial Intelligence Project Memo No. 54, August 1967).

(8) J. Lederberg, “Online computation of molecular formulas from mass
number." NASA CR-94977 (1968)

(9) E. A. Feigenbaum and B. G. Buchanan, “Heuristic DENDRAL: A Program
for Generating Explanatory Hypotheses in Organic Chemistry", li
rroceedings, Hawaii International Conference on System Sciences, B.
K. Kinariwala and F. F. Kuo (eds), University of Hawaii Press, 1968.

(18) B. G. Buchanan, G. L. Sutherland, and E. A. Feigenbaum, "Heuristic
DENDRAL: A Program for Generating Explanatory Hypotheses in Organic
Chemistry". In Machine Intelligence 4 (B. Meltzer and D. Michie,
eds) Edinburgh University Press (1969), (also Stanford Artificial
Intelligence Project Memo No. 62, July 1968).

(11) E. A. Feigenbaum, “Artificial Intelligence: Themes in the Second
Decade". In Final Supplement to Proceedings of the IFIP68
International Congress, Edinburgh, August 1968 (also Stanford
Artificial Intelligence Project Memo No. 67, August 1968).

(12) J. Lederberg, "Topology of Molecules", in The Mathematical Sciences
-~ A Collection of Essays, (ed.) Committee on Support of Research in
the Mathematical Sciences (COSRIMS), National Academy of Sciences -
National Research Council, M.I.T. Press, (1969), pp- 37-51.
(13) G. Sutherland, "Heuristic DENDRAL: A Family of LISP Programs", to
appear in D. Bobrow (ed), LISP Applications (also Stanford
Artificial Intelligence Project Memo No. 88, March 1969).

(14) J. Lederberg, G. L. Sutherland, B. G. Buchanan, E. A. Feigenbaum,
A. V. Robertson, A. M. Duffield, and C. Djerassi, “Applications of
Artificial Intelligence for Chemical Inference I. The Number of
Possible Organic Compounds: Acyclic Structures Containing C, H, O
and N". Journal of the American Chemical Society, 91:11 (May 21,
1969).

(15) A. M. Duffield, A. V. Robertson, C. Djerassi, B. G. Buchanan, G.
L. Sutherland, E. A. Feigenbaum, and J. Lederberg, "Application of
Artificial Intelligence for Chemical Inference II. Interpretation
of Low Resolution Mass Spectra of Ketones". Journal of the American
Chemical Society, 91:11 (May 21, 1969).

(16) B. G. Buchanan, G. L. Sutherland, E. A. Feigenbaum, "Toward an
Understanding of Information Processes of Scientific Inference in
the Context of Organic Chemistry", in Machine Intelligence 5, (B.
Meltzer and D. Michie, eds) Edinburgh University Press (1970), (also
Stanford Artificial Intelligence Project Memo No. 99, September
1969).

(17) 3. Lederberg, G. UL. Sutherland, B. G. Buchanan, and E. A.
Feigenbaum, "A Heuristic Program for Solving a Scientific Inference
Problem: Summary of Motivation and Implementation", Stanford
Artificial Intelligence Project Memo No. 104, November 1969.

(18) C. W. Churchman and B. G. Buchanan, "On the Design of Inductive
Systems: Some Philosophical Problems”. British Journal for the
Philosophy of Science, 20 (1969), pp. 311-323.

(19) G. Schroll, A. M. Duffield, C. Djerassi, B. G. Buchanan, G. lL.
Sutherland, E. A. Feigenbaum, and J. Lederberg, "Application of
Artificial Intelligence for Chemical Inference III. Aliphatic
Ethers Diagnosed by Their Low Resolution Mass Spectra and NMR Data".
Journal of the American Chemical Society, 91:26 (December 17, 1969).

(20) A. Buchs, A. M. Duffield, G. Schroll, C. Djerassi, A. B. Delfino,
B. G. Buchanan, G. L. Sutherland, E. A. Feigenbaum, and J.
Lederberg, "Applications of Artificial Intelligence For Chemical
Inference. IV. Saturated Amines Diagnosed by Their Low Resolution
Mass Spectra and Nuclear Magnetic Resonance Spectra", Journal of the
American Chemical Society, 92, 6831 (1979).

(21) Y¥.M. Sheikh, A. Buchs, A.B. Delfino, G. Schroll, A.M. Duffield, C.
Djerassi, B.G. Buchanan, G.L. Sutherland, E.A. Feigenbaum and J.
Lederberg, "Applications of Artificial Intelligence for Chemical
Inference V. An Approach to the Computer Generation of Cyclic

Structures, Differentiation Between All the Possible Isomeric
Ketones of Composition C6H190", Organic Mass Spectrometry, 4, 493
(1978).

(22) A. Buchs, A.B. Delfino, A.M. Duffield, C. Djerassi, B.G. Buchanan,
E.A. Feigenbaum and J. Lederberg, “Applications of Artificial
Intelligence for Chemical Inference VI. Approach to a Ceneral
Method of Interpreting Low Resolution Mass Spectra with a Computer",
Chem. Acta Helvetica, 53, 1394 (1979).

(23) E.A. Feigenbaum, B.G. Buchanan, and J. Lederberg, “On Generality
and Problem Solving: A Case Study Using the DENDRAL Program". In
Machine Intelligence 6 (B. Meltzer and D. Michie, eds.) Edinburgh
University Press (1971). (Also Stanford Artificial Intelligence
Project Memo No. 131.)

(24) A. Buchs, A.B. Delfino, C. Djerassi, A.M. Duffield, 8.G. Buchanan,
E.A. Feigenbaum, J. Lederberg, G. Schroll, and G.L. Sutherland, “The
Application of Artificial Intelligence in the Interpretation of Low-
Resolution Mass Spectra", Advances in Mass Spectrometry, 5 (1971),
314.

(25) B.G. Buchanan and J. Lederberg, "The Heuristic DENDRAL Program for
Explaining Empirical Data". In proceedings of the IFIP Congress 71,
Ljubljana, Yugoslavia (1971). (Also Stanford Artificial
Intelligence Project Memo No. 141.)

(26) B.G. Buchanan, E.A. Feigenbaum, and J. Lederberg, "A Heuristic
Programming Study of Theory Formation in Science.” In proceedings of
the Second International Joint Conference on Artificial
Intelligence, Imperial College, London (September, 1971). (Also
Stanford Artificial Intelligence Project Memo No. 145.)

(27) Buchanan, B. G., Duffield, A.M., Robertson, A.V., “An Application
of Artificial Intelligence to the Interpretation of Mass Spectra",
Mass Spectrometry Techniques and Appliances, Edited by George W. A.
Milne, John Wiley & Sons, Inc., 1971, Pp. 121-77.

(28) D.H. Smith, B.G. Buchanan, R.S. Engelmore, A.M. Duffield, A. Yeo,
E.A. Feigenbaum, J. Lederberg, and C. Djerassi, “Applications of
Artificial Intelligence for Chemical Inference VIII. An approach to
the Computer Interpretation of the High Resolution Mass Spectra of
Complex Molecules. Structure Elucidation of Estrogenic Steroids",
Journal of the American Chemical Society, 94, 5962-5971 (1972).

(29) B.G. Buchanan, E.A. Feigenbaum, and N.S. Sridharan, “Heuristic
Theory Formation: Data Interpretation and Rule Formation". In
Machine Intelligence 7, Edinburgh University Press (1972).

(30) Lederberg, J., “Rapid Calculation of Molecular Formulas from Mass
Values". Jnl. of Chemical Education, 49, 613 (1972).

(31) Brown, H., Masinter L., Hjelmeland, L., "Constructive Graph
Labeling Using Double Cosets". Discrete Mathematics, 7 (1974), 1-
38. (Also Computer Science Memo 318, 1972).

(32) B. G. Buchanan, Review of Hubert Dreyfus’ “What Computers Can’t Do:
A Critique of Artificial Reason", Computing Reviews (January, 1973).
(Also Stanford Artificial Intelligence Project Memo No. 181)

(33) D. H. Smith, B. G. Buchanan, R. S. Engelmore, H. Aldercreutz and C.
Djerassi, "Applications of Artificial Intelligence for Chemical
Inference IX. Analysis of Mixtures Without Prior Separation as
Illustrated for Estrogens". Journal of the American Chemical
Society 95, 6078 (1973).

(34) D. #. Smith, B. G. Buchanan, W. C. White, E. A. Feigenbaum, C.
Djerassi and J. Lederberg, "Applications of Artificial Intelligence
for Chemical Inference X. Intsum. A Data Interpretation Program as
Applied to the Collected Mass Spectra of Estrogenic Steroids".
Tetrahedron, 29, 3117 (1973).

(35) B. G. Buchanan and N. S. Sridharan, "Rule Formation on Non-
Homogeneous Classes of Objects". In proceedings of the Third
International Joint Conference on Artificial Intelligence (Stanford,
California, August, 1973). (Also Stanford Artificial Intelligence
Project Memo No. 215.)

(36) D. Michie and 8B.G. Buchanan, “Current Status of the Heuristic
DENDRAL Program for Applying Artificial Intelligence to the
Interpretation of Mass Spectra". August, 1973. To appear in
Computers for Spectroscopy (ed. R.A.G. Carrington) London: Adam
Hilger. Also: University of Edinburgh, School of Artificial
Intelligence, Experimental Programming Report No. 32 (1973).

(37) H. Brown and L. Masinter, "An Algorithm for the Construction of the
Graphs of Organic Molecules", Discrete Mathematics, 8(1974), 227.
(Also Stanford Computer Science Dept. Memo STAN-CS-73-361, May,
1973)

(38) D.H. Smith, L.M. Masinter and N.S. Sridharan, “Heuristic DENDRAL:
Analysis of Molecular Structure," Proceedings of the NATO/CNNA
Advanced Study Institute on Computer Representation and Manipulation
of Chemical Information (W. T. Wipke, S. Heller, R. Feldmann and E.
Hyde, eds.) John Wiley and Sons, Inc., 1974.

(39) R. Carhart and C. Djerassi, "Applications of Artificial
Intelligence for Chemical Inference XI: The Analysis of C13 NMR Data
for Structure Elucidation of Acyclic Amines", J. Chem. Soc. (Perkin
II), 1753 (1973).

(40) L. Masinter, N.S. Sridharan, R. Carhart and D.H. Smith,
"Application of Artificial Intelligence for Chemical Inference XII:
Exhaustive Generation of Cyclic and Acyclic Isomers". Journal of
the American Chemical Society, 96 (1974), 7702. (Also Stanford
Artificial Intelligence Project Memo No. 216.)

(41) OL. Masinter, N.S. Sridharan, R. Carhart and D.H. Smith,
“Applications of Artificial Intelligence for Chemical Inference.
XIII. Labeling of Objects having Symmetry". Journal of the American
Chemical Society, 96 (1974), 7714.

(42) N.S. Sridharan, Computer Generation of Vertex Graphs, Stanford CS
Memo STAN-CS-73-381, July, 1973.

(43) N.S. Sridharan, et.al., A Heuristic Program to Discover Syntheses
for Complex Organic Molecules, Stanford CS Memo STAN-CS-73-376,
June, 1973. (Also Stanford Artificial Intelligence Project Memo No.
265.)
(44) N.S. Sridharan, Search Strategies for the Task of Organic Chemical
Synthesis, Stanford CS Memo STAN-CS-73-391, October, 1973. (Also
Stanford Artificial Intelligence Project Memo No. 217.)

(45) R. G. Dromey, B. G. Buchanan, J. Lederberg and C. Djerassi,
"Applications of Artificial Intelligence for Chemical Inference.
XIV. A General Method for Predicting Molecular Ions in Mass
Spectra". Journal of Organic Chemistry, 40 (1975), 778.

(46) D. H. Smith, “Applications of Artificial Intelligence for Chemical
Inference. XV. Constructive Graph Labelling Applied to Chemical
Problems. Chlorinated Hydrocarbons". Analytical Chemistry, in
press (to appear May or June, 1975).

(47) R. E. Carhart, D. 4H. Smith, H. Brown and N. S.Sridharan,
"Applications of Artificial Intelligence for Chemical Inference.
XVI. Computer Generation of Vertex Graphs and Ring Systems".
Journal of Chemical Information and Computer Science (formerly
Journal of Chemical Documentation), in press (to appear in May,
1975).

(48) R. E. Carhart, D. H. Smith, H. Brown and C. Djerassi, “Applications
of Artificial Intelligence for Chemical Inference. XVII. An
Approach to Computer-Assisted Elucidation of Molecular Structure".
Journal of the American Chemical Society, submitted for publication.

(49) B. G. Buchanan, “Scientific Theory Formation by Computer." To
appear in Proceedings of NATO Advanced Study Institute on Computer
Oriented Learning Processes, 1974, Bonas, France.

(5G) E. A. Feigenbaum, "Computer Applications: Introductory kemarks," in
Proceedings of Federation of American Societies for bxrerimental

(51) S. Hammerum and C. Djerassi, "Mass Spectrometry in Structural and
Stereochemical Problems - CCXLIV; The Influence of Substituents and
Stereochemistry on the Mass Spectral Fragmentation of Progesterone."
Tetrahedron (accepted for publication), 1975.

(52) S. Hammerum and C. Djerassi, “Mass Spectrometry in Structural and
Stereochemical Problems CCXLV. The Electron Impact Induced
Fragmentation Reactions of 17-Oxygenated Progesterones." Steroids
(submitted for publication).

(53) HH. Brown, “Molecular Structure Elucidation TII."” Submitted for
publication to SIAM Journal on Computing.
(54) W.E. Pereira, R.E. Summons, T.C. Rindfleisch and A.M. Duffield,
"The Determination of Ethanol in Blood and Urine by Mass
Fraqgmentography." Clin. Chim. Acta, 51, 109 (1974).

(55) wW.E. Pereira, R.E. Summons, T.C. Rindfleisch, A.M. Duffield,
B. zZeitman and J.G. Lawless, "Stable Isotope Mass
Fragmentography: Quantitation and Hydrogen-Deuterium
Exchange Studies of Eight Murchison Meteorite Amino Acids."
Geochem. et Cosmochim. Acta, 39, 163 (1975).

(56) S.A. Fernback, R.E. Summons, W.E. Pereira and A.M. Duffield,
"Metabolic Studies of Transient Tyrosinemia in Premature Infants."
Pediatric Researcn, 9, 172 (1975).

(57) J.G. Lawless, B. Zeitman, W.E. Pereira, R.E. Summons and
A.M. Duffield, "Dicarboxylic Acids in the Murchison Meteorite."
Nature, 251, 46 (1974).
III.

RESOURCE FINANCES

A.

B.

Cc.

D.

SUMMARY OF EXPENDITURES

DETAILS

SUMMARY OF RESOURCE FUNDING

BUDGET EXPLANATION/JUSTIFICATION
SECTION II
FROM THROUGH GRANT NUMBER

SECTION JJ—-BUDGET  wsuatty 12 MonTHS) 8/1/75 7/31/76 RR612-05Al
A. ITEMIZE DIRECT COSTS REQUESTED FOR NEXT BUDGET PERIOD
PERSONNEL
NAME (Last, First, Initial)

 

 

 

 

 

   
  
   
 
 
  
    

   
  
  
  

   
   
  
 

  
  
  
  
 

FRINGE BENEFITS
(See instructions)

(e)

  
   
  
      
     
   
 
    
 
   
    

TIME OR
EFFORT

% /HRS.
(c)

SALARY
REQUESTED TOTAL

(8)

   
  

  
 

TITLE OF POSITION
(b)

PRINCIPAL INVESTIGATOR

arate listin

  

See $

Subtotals —————> | $

   

(indicate cost of each Item listed below) TOTAL (Columns (d) and (e) >

CONSULTANT COSTS (See Instructions)

 

 
 
  
 
 

EQUIPMENT -

MAT-711 Maintenance - $7,000

 

 

 

15,750

       
   
  

    
     
 

    
             
      
  
    
   
 
   
 
 

   
     

 
     

  
     

  
 
 

1000
nd etc
lies

SUPPLIES

ltes 00
uid nitro
medfa (1100

electronics supplies Ss
1100 chemicals

mini ter su

Office su
1100 li
recordin

 

        
 

  
 

    
 

16

 

fn

   

    

    

0

  

DOMESTIC? East Coast and 2 West Coast trips
TRAVEL

FOREIGN

PATIENT COSTS (See instructions)

ALTERATIONS AND RENOVATIONS

   
     
  
  

OTHER EXPENSES (itemize)
Telephone (office & data) - 1800

Terminal & communication equipment lease - 5240
Publications, etc. - 1800

8,840

     

TOTAL DIRECT COST (Enter on Page i, item 10)

+ 240,962

 

 

 

 

 

(NDIRECT -— ..% S&W* Date of DHEW Agreement: CE Not Requested
COST oo. 7 GX NTDC July 30, 1973 - CO Under negotiation with:
(See Instructions) *if this is a special rate (e.g. off-site), explain.
NIH 2006-1 (Formerly PHS 2590-1) PAGE 2

Rev. 8-73
 

 

 

 

SECTION III—FISCAL DATA FOR FROM eel Gnant nines
CURRENT BUDGET PERIOD
(USUALLY 12 MONTHS) 5/1/74 7/31/75 R 24 RROO612-O05Al

 

The following pertains to your CURRENT PHS budget. Do not include cost sharing funds. This information in conjunction with that provided on Page 2
will be used in determining the amount of support for the NEXT budget period.

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

EXPENDITURES UITONAL TOTAL ESTIMATED ESTIMATED
Guoeer 1/7 EXPENDITURES AND | CXPENOITURES., | UNMALANCE.
super carecones Ot
PERIOO
(1) (2) ® 4) (5)
Personne! (Salaries) 194, 183 122,728 71,455 194,183 0
Fringe Benefits - Included in personnel (safaries) .
Consultant Costs . _ . _ -
Equipment 105,050 92,510 10,715 103,225 1,825
Supplies 12,000 hk 2k0 2,000 6,240 5.760
Domestic
vRAvEL 2,700 2h2 2,500 2,742 0
Foreign . . . _ _
Patient Costs _ . .
Alterations and Renovations . . _ _
Other 10,000 15,639 1,904 17,543 7,543)
Total Direct Costs 323,933 235,359 88,574 _| 323,933 0
Indirect Costs (If included in award) 114,531 76,167 38, 364 114.531 0
rors, ————————> | 4.36 nc, | 311,526 | 126,938 | #28, HO + 9

 

 

 

 

 

 

Use space below to:

B. List all items of equipment purchased or expected to be purchased during this

C. Explain any significant balance or deficit shown in any category of Column 5.
D. List all other research support for Principal investigator by source, project title, and annuat amount.

budget period which have a unit cost of $1000 or more.

 

NIH 2006-1 (Formerly PHS 2590-1)
Rev. 8-73

PAGE 4

(Use Continuation Pages ss necessary)
PRINCIPAL INVESTIGATORS:

C. Djerassi
J. Lederberg
E. Feigenbaum

RESEARCH ASSOCIATES

Smith
Carhart
Brown

. Dromey
Duffield

Pro rao

PROGRAMMERS:

W. White
G. Jirak
K. Stone

ELECTRONICS ENGINEER:

N. Veizades

ELECTRONICS TECHNICIAN:

D. Pearson

SENIOR RESEARCH ASSISTANT:

A. Wegmann

RESEARCH ASSISTANTS:

M. Stefik
P. Friedland
K. Morrill

SECRETARIAL SUPPORT:

G. Perry
D. Larson
M. Allen

TOTAL:

DETAILED SALARY DATA
NIH GRANT RR 612-05A1

8/1/75-7/31/76

a

 

Effort Salary
10 0
10 - 0
10 2,737

100 20,179
100 18,783
100 20,179
100 18,139
15 3,784
50 9,177
100 12,418
50 6,440
50 11,270
50 7,226
100 17,350
100 5,528
100 5,528
100 3,420
50 5,693
50 5,581
10 1,206

$174,638

 

 

Fringe

Benefits Total
0 0
0 0

520 3,257
3,834 24,013
3,569 22,352
3,834 24,013
3,447 21,586
718 4,502
1,744 10,921
2,360 14,778
1,224 7,664
2,141 13,411
1,373 8,599
3,297 20,647
1,050 6,578
1,050 6,578
650 4,070
1,083 6,775
1,061 6,642
$33,184 $207 ,822
H11.C.

SUMMARY OF RESOURCE FUNDING

The interdisciplinary resource-related research
project is almost wholly funded by the Biotechnology
Resources Branch of the NIH. Computing support

is provided by the NlH-funded SUMEX computer facility
at Stanford (NIH Grant #RROO785-02, Professor Joshua

Lederberg, Principal Investigator).

Additional support for chemistry research related to
this grant is provided by NIH Grants GM-06840 and
AM-04257 (Professor Carl Djerassi, Principal

Investigator).
BUDGET JUSTIFICATION

Personnal remains the same as justified in the renewal application report
with the exception of the substitution of Dr. Raymond Carhart for Dr.
Natesa Sridharan. Salaries are increased by 9% per year and staff benefits
are computed at 18% for the perfod 9/74-8/75, and are increased 1% per

year thereafter, based on current University projections. Other budget
categories are increased by 10% per year to account for Inflation,

Equipment maintenance is budgeted for the proposed stand-alone PDP-11

system under DEC contract based on current prices. Also Included is a

budget for maintenance of the MAT-711 system. This estimate [fs based on

our experience with parts replacements to date. We will provide the necessary
manpower because Varian cannot provide adequate service.

Supplies are budgeted in various categories based on our operating experience
to date. Electronics supplies include parts necessary for maintaining our
electronics and test equipment. GC supplies fnclude carrier gases, columns,
phases, syringes, septa, etc., for GC/MS operation. The liquid nitrogen is
required for cold trap operation on the MAT-711. Chemicals, glassware, etc.,
include the various organic chemicals, glassware, apparatus, glass tubing,
etc. needed to support the recording paper for the calcomp paper and pens

for jon currennt and spectrum plotting, Mini-computer supplies [Include
paper, magnetic tape, ribbons, spare disk cartridges, etc., for data

system operation.

The travel budget covers estimated needs (2 east coast and 2 west coast)
trips for attending related professional meetings and interfacing potential
program users nationally. No forelgn travel is budgeted.

The "'Other'' budget includes operating telephone, office supplies, postage,
reproduction, etc., support necessary for this project based on our previous
experience. Terminal rental covers four terminals to be distributed

among the MS laboratory, the Computer Science Department, and J. Lederberg's
laboratory.
DETAILED DESCRIPTION OF RESOURCE PROJECTS

Projects using the structure elucidation tools
developed under this resource related research
grant are listed in the Description of Progress

(section 11-A).