A Vertical Scrolling History of Computational Chemistry

Allen B. Richon

Molecular Solutions, Inc.
4411 Connecticut Avenue NW, STE 514
Washington, DC 20008-8677

Published March, 2001

Date Publications Software & Hardware Computational Chemistry Companies Summary
1925 Heisenberg publishes his first paper on quantum mechanics (Z. Phys., 1925, 33, 879).      
1926 Schrödinger publishes his first paper on the theory of quantum mechanics (Ann. Phys., 1926, 79, 361).      
1931 Pi electron theory postulated by Hückel (Z. Phys., 1931, 70, 204).      
1943   The first computer, the ENIAC (Electronic Numberical Integrator and Computer) is built for the US Army Ordance Department.    
1946 Westheimer reports the calculation of racemization ratios for ortho-bibromobiphenyls (J. Chem. Phys., 1946, 14, 733).      
1950 Roothaan publishes the description of the linear combination of atomic orbitals - molecular orbital - self consistent field (LCAO-MO-SCF) method.      
1951   The first UNIVAC (Universal Automatic Computer) is delivered to the Census Bureau    
1953 Details of the Pariser - Pople - Parr theory are published (J. Chem. Phys., 1953, 21, 466; J. Chem. Phys., 1953, 21 767).

Metropolis and co-workers describe the application of the Monte Carlo method of simulation to physical chemistry problems (J. Chem. Phys., 1953, 1087, 21).

1955 Scherr reports the first ab initio calculation for a large system, N2.      
1957 Pople publishes details on the application of self-consistent molecular orbital methods to pi electrons (J. Phys. Chem., 1957, 61, 6).      
1958   The first integrated circuit board is constructed by Jack Kilby at Texas Instruments.

The Advanced Research Projects Agency (ARPA) is formed

1961 Hendrickson publishes the results of calculations of relative conformational stabilities of cyclohexane (J. Amer. Chem. Soc., 1961, 83, 5537).

Leonard Kleinrock (MIT) publishes the first paper on packet switching.

1963     Quantum Chemistry Program Exchange (QCPE) formed at Indiana University to distribute quantum chemistry codes (Hall, K.; and Prosser, F.; Rev. Comp. Chem., 1963, 5: 33).  
1964 Hansch and Fujita describe a new approach to analyzing drug actions: QSAR, a quantitative structure activity relationship (Hansch, C and Fujita, T., J. Amer. Chem. Soc., 1964, 86, 1616)      
1965 The ORTEP program is announced (Johnson, C.; ORNL-3794, 1965, UC-4 Chemistry. Oak Ridge, Tennessee).

Pople, et. al. publish the CNDO method (Pople, J.A.; Santry, D.P.; Segal, G.A.; J. Chem. Phys., 1965, 43: S129).

The Morgan algorithm is published (Morgan, H.L., "The Generation of Unique Machine Description for Chemical Structures - A Technique Developed at Chemical Abstracts Services", J. Chem. Doc., 1965, 5, 107-113).

The Chemical Information Program, designed to build a chemical registration and storage system, was initiated at Chemical Abstracts Service.

1966 Cyrus Levinthal, et. al. publish paper on the use of molecular graphics and computer simulation (Levinthal, C.; Scientific American, 1966, 214: 42).      
1967 The first paper proposing ARPANET is published by Larry Roberts at the DOD's Advanced Research Projects Agency (ARPA)      
1969 E.J. Corey and Todd Wipke publish details for the Computer-Assisted Organic Synthesis Planning (CASP) program (Corey, E.J.; Wipke, W.T.; Science, 1969, 166: 178).

Levitt and Lifson report the use of force fields to refine protein conformations derived from experimental data (Michael Levitt and Shneior Lifson; J. Mol. Biol., 1969, 46, 269-279).

The ARPANET is created by linking computers at Stanford, UCLA, UCSB and Utah.

Ken Thompson, Dennis Ritchie and Joseph Ossanna develop a new operating system, UNIX, for the DEC PDP-7.

Dennis Ritchie and Brian Kernighan create c at Bell Labs.

1970 Warshel and Lifson publish a description of the Consistent Force Field (Warshal, A.; Lifson, S.; J. Chem. Phys., 1970, 53: 582-594). Boeing announces the maiden flight of the 747    
1971 Hendrickson describes a computer assisted synthesis program (Hendrickson, J.B., J. Amer. Chem. Soc., 1971, 93, 6847).      
1972 Garland Marshall, et. al. publish a description of the MMS-X program (Marshall, G.R.; Beitch, J.; Ellis, R.A.; Fritsch, J.M.; Diabetes, 1972, 21, Suppl. 2: 506).

The Cambridge Bibliographic file is described (Kennard, O.; Watson, D.G.; Town, W.G.; J. Chem. Doc., 1972, 12: 234-6).

Ray Tomlinson releases details about a new computer program that can send and receive personalized messages. Electronic mail is born!    
1973 The Brookhaven Protein Data Bank is announced (Acta. Cryst. B, 1973, 29: 1746).

N.L. Allinger describes the modeling of hydrocarbons with a new force field, MM1 (Allinger, N.L.; Sprague, J.T.; J. Amer. Chem. Soc., 1973, 95: 3893).

Robert Metcalfe receives his Ph.D. from Harvard University. His thesis describes Ethernet.    
1974 Robert Langridge, et. al. publish paper on the use of computer graphics to visualize 3-D chemical structures (Langridge, R.; Fed. Proc. Fed. Am. Soc. Exp. Biol., 1974, 33: 2332).

Wipke and Dyott describe SEMA, the Stereochemically Extended Morgan Algorithm (Wipke, W.T.; Dyott, T.M.; J. Amer. Chem. Soc., 1974, 96: 4834).

Vint Cerf and Robert Kahn develop the concept of connecting networks of computers into an "internet" and develop the Transmission Control Protocol (TCP).    
1975 Olga Kennard, et. al. publish a description of the Cambridge Crystallographic Data Centre (Chem. Britain, 1975, 213-216).

Harold Scheraga, et. al. publish a description of the ECEPP program (Momany, F.; McGuire, R; Burgess, A; Scheraga, H.; J. Phys. Chem., 1975, 79: 2361) and make the program available through QCPE (The Quantum Chemistry Program Exchange).

The CONGEN program for automated structure generation is described (Carhart, R.E., Smith, D.H., Brown, H., Djerassi, C., J. Amer. Chem. Soc., 1975, 97, 5755).

Microsoft founded by Bill Gates and Paul Allen.    
1976 N.L. Allinger, et. al. release the MM1 program through QCPE (Allinger, N.L.; Quantum Chemistry Program Exchange, 1976, 318).      
1977 N.L. Allinger, et. al. publish a description of the MM2 program (Allinger, N.L.; J. Amer. Chem. Soc., 1977, 99: 8127).

Crippen reports the use of distance geometry for calculating conformations (Crippen, G.M.; J. Comp. Phys., 1977, 24: 96-107).

Dewar, et. al. publish details of the MNDO method (Dewar, M.J.S.; Thiel, W.; J. Amer. Chem. Soc., 1977, 99: 4899).

Anthony Hopfinger, et. al. publish a description of the CAMSEQ program, the precursor to Chemlab (Potenzone, R. Jr.; Cavicchi, E.; Weintraub, H.J.R.; Hopfinger, A.J.; J. Comput. Chem., 1977, 1: 187).

Martin Karplus, et. al. publish the first molecular dynamics study of a protein (McCammon, J.A.; Gelin, B.R.; Karplus, M.; Nature, 1977 267: 585-590).

The full description of the Brookhaven PDB is published (Bernstein, F.C.; Koetzle, T.F.; Williams, G.J.B.; Meyer, E.F.; Brice, M.D.; Rodgers, J.R.; Kennard, O.; Shimanouchi, T.; Tasumi, M.J.; J. Mol. Biol., 1977, 112: 535).

1978 T. Alwyn Jones, et. al. describe the FRODO program (Jones, T.A.; J. Appl. Crystallogr., 1978, 11: 268).

David Pensak, et. al. describe the TRIBBLE program which uses the E&S Multi-Picture System (MPS) for graphics display (Eaton, D.F.; Pensak, D.A.; J. Amer. Chem. Soc., 1978, 100: 7428-7429).

Digital Equipment Corporation introduces the VAX 11/780 computer.

National Resource for Computation in Chemistry (NRCC) established at Lawrence Berkeley National Laboratory, led by Bill Lester

Health Designs, Inc. founded in New York by Kurt Enslein. Primary Product: TOPKAT (toxicology prediction)

Molecular Design Ltd. founded in California by Stuart Marson and Todd Wipke. Primary product: MACCS (chemical databases) which runs on the Prime computer and an IMLAC graphics system.

Companies created: 2
Companies merger/acquired: 0
Total number of companies: 2
1979 Marshall, et. al. describe the Active Analog Approach (Marshall, G.R.; Barry, C.D.; Bosshard, H.E.; Dammkoehler, R.A.; Dunn, D.A.; in Computer-Assisted Drug Design. E.C. Olson and R.E. Christofferson, Eds. American Chemical Society Symposium, Vol. 112, Amercian Chemical Society, Washington, DC, 1979, 205-226).

Gordon Crippen, et. al. detail distance geometry methods for protein structure calculations (Kuntz, I.D.; Crippen, G.M.; Kollman, P.A.; Biopolymers, 1979, 18: 939 and Havel, T.F.; Crippen, G.M.; Kuntz, I.D.; Biopolymers, 1979, 18: 73 and Crippen, G.M.; J. Med. Chem., 1979, 22: 988).

Martin Karplus, et. al. describe a new force field for proteins (Gelin, B.R.; Karplus, M.; Biochemistry, 1979, 18: 1256).

Lifson and Hagler publish work on a deriving force fields and energy functions to simulate "simple systems" (Lifson, S.; Hagler, A.T.; Dauber, P.; J. Amer. Chem. Soc., 1979, 101: 5111-5121).

A description of the NIH Prophet system is published (Rohrer, D.C.; Fullerton, D.S.; Yoshioka, K.; "Computer-Assisted Drug Design", ACS Symposium Series, 1979, 112: 259-279).

  Tripos Associates, Inc. founded in Missouri by Garland Marshall. Primary product: SYBYL which ran on a Gould SEL computer system (molecular modeling, drug design). Companies created: 1
Companies merger/acquired: 0
Total number of companies: 3
1980 MM2/MMP2 with the 1977 force field submitted to QCPE by N.L. Allinger (Quantum Chemistry Program Exchange, 1980, QCPE Program No. 395).

Thomas Dyott, et. al. describe the MOLY program (Dyott, T.M.; Stuper, A.J.; Zander, G.S.; J. Chem. Inf. Comput. Sci., 1980, 20: 28-35).

The first issue of the Journal of Computational Chemistry is published.

The Merck MMS is described (Gund, P.; Andose, J.D.; Rhodes, J.B.; Smith, G.M.; Science, 1980, 208: 1425-1431).

Wüthrich et. al. publish paper detailing the use of multi-dimensional NMR for protein structure determination (Kumar, A.; Ernst, R.R.; Wüthrich, K.; Biochem. Biophys. Res. Comm., 1980, 95: 1).

  IntelliGenetics founded in California. Primary product: IntelliGenetics Suite (DNA and protein sequence analysis).

General Atomic and Molecular Electronic Structure System (GAMESS) developed at NRCC by Michel Dupuis and co-workers.

Companies created: 1
Companies merger/acquired: 0
Total number of companies: 4
1981 Peter Kollman, et. al. publish preliminary description of the AMBER force field for protein/DNA calculations. (Weiner, P.K.; Kollman, P.A.; J. Comp. Chem., 1981, 2: 287-303).

Robert Langridge, et. al. publish description of the MIDAS program (Langridge, R.; Ferrin, T.; Kuntz, I.D.; Connolly, M.L.; Science, 1981, 221, 661).

IBM introduces its Personal Computer to the market.   Companies created: 0
Companies merger/acquired: 0
Total number of companies: 4
1982 An algorithm for docking small molecules to receptors (later to become the DOCK program) is published by Irwin Kuntz and colleagues (Kuntz, I.D.; Blaney, J.M.; Oatley, S.J.; Langridge, R.; Ferrin, T.E.; J. Mol. Biol., 1982, 161, 269).   Genetics Computer Group (GCG) created as a part of the University of Wisconsin Biotechnology Center. Primary product: The Wisconsin Suite (molecular biology tools).

Hare Research founded in Washington by Dennis Hare. Primary product: FELIX and DSPACE (NMR structure refinement).

Companies created: 2
Companies merger/acquired: 0
Total number of companies: 6
1983 Martin Karplus, et. al. publish description of the CHARMM program (Brooks, B.R.; Bruccoleri, R.E.; Olafson, B.D.; States, D.J., Swaminathan, S. and Karplus, M.; J. Comp. Chem., 1983, 4: 187-217).

Michael Connolly publishes description of a program to calculate and display the solvent-accessible surfaces of proteins and nucleic acids (Connolly, Michael L.; Science, 1983, 221: 709-713 and Connolly, M.L.; J. Appl. Crystallogr., 1983, 16: 548).

W. F. van Gunsteren, et. al. publish description of molecular dynamics of proteins using GROMOS program (van Gunsteren, W.F.; Berendsen, H.J.C.; Hermans, J.; Hol, W.G.J.; Postma, J.P.M.; Proc. Natl. Acad. Sci., 1983, 80: 4315).

The Compact Disk (CD) is launched. Chemical Design Ltd. founded in Oxford, UK by Keith Davies. Primary product: Chem-X (molecular modeling, drug design).

Hypercube Inc. founded in Waterloo, Canada by Neil Ostlund. Primary product: HyperChem (PC-based molecular modeling).

New Methods Research Inc. (NMRi) founded in New York by George Levy. Primary product: NMR-1 (NMR spectroscopy acquisition and analysis).

Companies created: 3
Companies merger/acquired: 0
Total number of companies: 9
1984 Peter Kollman, et. al. publish description of the AMBER program (Weiner, S.J.; Kollman, P.A.; Case, D.A.; Singh, U.C.; Ghio, C.; Alagona, G; Profeta, S.; Weiner, P; J. Amer. Chem. Soc., 1984, 106: 765-784).

Svante Wold publishes the details of Partial Least Squares (PLS), a new method of data analysis which facilitates the derivation of linear equations from data tables that have more columns than rows (Wold, S., Ruhe, A., Wold, H., and Dunn, W.J. III; SIAM J. Sci. Stat. Comput., 1984, 5, 735).

Jon Postel's Domain Name System (DNS) is placed on-line.

The Macintosh is announced.

BioDesign, Inc. founded in California by Barry Olafson, Stephen Mayo, and William Goddard. Primary product: BioGraf (molecular modeling, protein design).

Biosym Technologies founded in California by Arnold Hagler and Donald MacKay. Primary product: Insight/Discover (molecular modeling, protein design).

Evans & Sutherland Computer Corporation establish the Molecular Sciences Group and obtain MOGLI from Shell Research.

Polygen Corporation founded in Massachusetts by Frank Momany, Jeffrey Wales, Jean-Loup Fayolle, and Andy Ferrara. Primary product: QUANTA/CHARMm (molecular modeling, protein design).

Companies created: 4
Companies merger/acquired: 0
Total number of companies: 13
1985 Peter Goodford publishes a paper detailing the use of probe-interaction grids for SAR studies on fields derived from 3D geometries (Goodford, P.J.; J. Med. Chem., 1985, 28, 849).   ORAC Ltd. founded in the UK by Glen Hopkinson. Primary product: ORAC/OSAC (chemical and reaction databases).

Serena Software founded in Indiana by Kevin Gilbert. Primary product: PCModel/GMMX (molecular modeling).

Companies created: 2
Companies merger/acquired: 0
Total number of companies: 15
1986 The first presentation of CONCORD made at the 1986 ACS Meeting in Anaheim (Rusinko, A. III; Skell, J.M.; Balducci, R.; Pearlman, R.S.; "CONCORD: Rapid Generation of High Quality Approximate 3-Dimensional Molecular Coordinates", Abstracts of the 192nd American Chemical Society Meeting, Anaheim, CA, 1986). NSFnet debuts Amoco Technology Corporation acquires IntelliGenetics.

Biosym Technologies announces the first computational chemistry consortium to derive potential energy functions.

CAChe Scientific founded in Oregon by George Fabel and George Purvis as a subsidiary of Tektronix. Primary product: CAChe (Macintosh-based molecular modeling).

Cambridge Scientific Computing founded in Massachusetts by Stewart and Michael Rubenstein. Primary product: ChemDraw (Macintosh-based chemical structure drawing and molecular modeling).

Columbia University releases first version of Clark Still's MacroModel program.

Companies created: 3
Companies merger/acquired: 1
Total number of companies: 18
1987 Robert Pearlman publishes the first description of CONCORD ("Rapid Generation of High Quality Approximate 3D Molecular Structures", Pearlman, R.S.; Chemical Design and Automation News, 1987, 2: 1,5-7).

The Journal of Computer-Aided Molecular Design is published.

The manual for the THOR, GENIE, and MERLIN software from the Pomona MedChem project are described (Weininger, D., Weininger, A., and Leo, A.J., MedChem Software Manual, Release 3.53, Medicinal Chemistry Project, Pomona College, Claremont, CA, 1987).

Larry Wall releases a new programming language, the Practical Extraction and Report Language (Perl).

Biostructure SA founded in France by Jean-Marie Lehn, Bernard Roques, Dino Moras, Pierre Oudet, and Gerard Bricogne. Primary product: BioGromos/BioExplore (molecular modeling, protein design).

Daylight Chemical Information Systems Inc. founded in California by Arthur and David Weininger and Yosef Taitz. Primary product: THOR/MERLIN/SMILES (chemical database).

Gaussian, Inc. founded in Pennsylvania by John Pople to be sole distributor for the Gaussian program.

Evans & Sutherland Computer Corporation acquires Tripos Associates, Inc.

First commercial release of CONCORD

Health Designs Inc. releases the first version of TOPKAT.

Maxwell Communications Corporation acquires Molecular Design Ltd.

Proteus Molecular Design LTD founded in Cheshire, UK by Kevin Gilmore, John Pool, and Barry Robson.

Companies created: 4
Companies merger/acquired: 2
Total number of companies: 20
1988 Richard Cramer publishes the first description of CoMFA, a QSAR technique that explicitly incorporates 3D geometries (Richard D. Cramer, III, David E. Patterson, and Jeffrey D. Bunce, J. Amer. Chem. Soc., 1988, 110, 5959-5967). A new program, an Internet computer virus designed by a student, infects 6,000 military computers in the US.    
1989 Allinger et. al, publish the first descriptions of the MM3 program (Allinger, N.L.; Yuh, Y.H.; Lii, J.-H.; J. Am. Chem. Soc., 1989, 111: 8551, 8566, 8576).   BioCAD Corporation founded in California by Terry Smith, Michael Jacobi, and Steve Teig. Primary product: Catalyst (2D and 3D chemical database).

Cambridge Molecular Design founded in Cambridge, UK by Patrick Coulter. Primary product: Cerius family of products (molecular modeling, materials design).

GCG becomes a private company.

Oxford Molecular Group, Ltd. (OMG) founded in Oxford, UK by Anthony Marchington, David Ricketts, James Hiddleston, Anthony Rees, and W. Graham Richards. Primary products: Anaconda, Asp, Cameleon and others (molecular modeling, drug design, protein design).

Polygen announces investment position by IBM.

Companies created: 3
Companies merger/acquired: 0
Total number of companies: 23
1990 Clark Still, et. al. publish the description of MacroModel (Mohamadi, F; Richards, N.G.J.; Guida, W.C.; Liskamp, R; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T. and Still, W.C.; J. Comp. Chem., 1990, 11: 440-467).

The first edition of Reviews in Computational Chemistry is published
  Molecular Applications Group founded in California by Michael Levitt and Chris Lee. Primary product: Look, SegMod (molecular modeling, protein design).

Schrödinger, Inc. founded in California by Richard A. Friesner and William Goddard. Primary product: PS-GVB (ab initio quantum mechanics).

Companies created: 2
Companies merger/acquired: 0
Total number of companies: 25
1991   The research institute in Geneva (CERN) announces creation of the protocols which make-up the World Wide Web.

The Gopher program is released by the University of Minnesota

BioDesign changes name to Molecular Simulations Inc. (MSI).

Cray Research announces UniChem.

MSI acquires Cambridge Molecular Design.

MSI and Polygen Corporation merge to form a new company, MSI, with headquarters in Massachusetts.

Wavefunction, Inc. founded in California by Warren Hehre. Primary product: Spartan (ab initio quantum mechanics).

Companies created: 2
Companies merger/acquired: 2
Total number of companies: 25
1992 Bruce Gelin publishes the first edition of MMCC Results, a survey of the computational chemistry literature. The issue surveys 30 journals that report studies in the field.   Autodesk, Inc. licenses exclusive rights to Hypercube's products.

Synopsys founded in England by Glen A. Hopkinson, Keith Harrington, and Paul Hoyle. Primary product: The Accord series of chemical information tools.

Biosym Technologies acquires Hare Research.

Corning, Inc. acquires Biosym Technologies.

Evans & Sutherland acquires NMRi.

Maxwell Communication acquires ORAC Ltd. and merges them with MDL.

Semichem, Inc. founded in Kansas by Andrew Holder. Primary product: AMPAC (semiempirical quantum mechanics).

Companies created: 2
Companies merger/acquired: 3
Total number of companies: 24
1993   The Supercomputing Institute (NCSA) at the University of Illinois releases Mosaic. MicroSimulations Inc. founded in New Jersey by Weili Cui. Primary product: AccuModel and PowerFit (Windows- and Macintosh-based molecular modeling).

Beilstein created as a sales and marketing group for the Beilstein Institute.

Q-Chem, Inc founded in Pittsburg, PA by Carlos Gonzalez, Peter Gill and Benny Johnson.

MDL files Initial Public Offering as MDL Information Systems, Inc.

Oxford Molecular Group acquires Biostructure SA.

Companies created: 3
Companies merger/acquired: 1
Total number of companies: 26
1994   Netscape Communications Corporation founded and releases Navigator. Autodesk, Inc. returns exclusive rights for HyperChem to Hypercube, Inc.

Interactive Simulations founded in San Diego, California by Mark Surles. Primary product: Sculpt (molecular modeling, drug design, protein design).

Tripos Associates, Inc. spun-off by E & S as a publicly traded company, Tripos, Inc.

Joseph Votano establishes ChemSoft, a computer consulting firm in Lexington, MA. The company becomes SciVision, a Windows-based chemistry software company.

MDL acquires Occupational Health Services.

MSI acquires BioCAD Corporation.

Oxford Molecular Group announces exclusive representation for AMBER.

Oxford Molecular Group acquires IntelliGenetics.

Oxford Molecular Group releases Initial Public Offering on the London Stock Exchange.

Companies created: 2
Companies merger/acquired: 2
Total number of companies: 26
1995   NSFnet is retired. Several private companies assume responsibility for the network backbones in the US. Universities announce creation of vBNS.

Sun launches java. Netscape and Sun release JavaScript

Microsoft releases Internet Explorer.

Cambridge Scientific Computing changes name to CambridgeSoft Corporation.

Corning merges Biosym with MSI to form an independent company, MSI, with headquarters in California.

Oxford Molecular group acquires the RS3 product from PSI.

Oxford Molecular Group acquires CAChe Scientific.

MolSoft LLC is founded in New Jersey.

Companies created: 1
Companies merger/acquired: 2
Total number of companies: 25
1996 N.L. Allinger et. al. publish first description of MM4 (Allinger, N.L.; Chen, K.S.; Lii, J.H.; Nevins, N.; J. Comp. Chem., 1996, 17: 642, 669, 695, 730).   Chemical Computing Group founded in Quebec, Canada. Primary products Molecular Operating Environment (MOE) and Scientific Vector Language (SVL).

Oxford Molecular Group acquires the MacVector product from Eastman Kodak.

Oxford Molecular Group acquires the Unichem product from Cray Research.

Oxford Molecular Group acquires Health Designs, Inc.

Spotfire founded in Sweden by Chris Ahlberg. Primary product is Spotfire Pro, a data visualization program.

Companies created: 1
Companies merged/acquired: 2
Total number of companies: 24
1997     MDL Information Systems, Inc. agrees to be acquired by Reed-Elsevier publishers.

Hypercube, Inc. relocates to Gainesville Florida.

OpenEye Scientific Software founded in Santa Fe, New Mexico by Anthony Nicholls. Primary products are dedicated to the analysis of large chemical databases.

Partek Inc. is formed in St. Louis, Missouri by Tom Downey. Primary product is Partek Pro, a data visualization and analysis program.

Oxford Molecular Group acquires the Genetics Computer Group and MLR Automation.

LION Bioscience AG founded in Heidelberg, Germany.

Columbus Molecular Software founded in Columbus, Ohio by Paul Blower, Glenn Myatt, and Wayne Johnson. Primary product is LeadScope, a structure-based data mining program.

MSI files registration statement with the SEC to offer stock.

Camitro founded in Menlo Park, CA. Primary products are focused on computational ADME and Toxicity models.

Companies created: 5
Companies merged/acquired: 2
Total number of companies: 27
1998     MSI purchased by Pharmacopeia.

Oxford Molecular Group acquires Chemical Design Ltd.

MicroSimulations acquired by orCAD.

MacroModel (Columbia University) and Schrödinger merge.

BioReason is formed in Santa Fe, New Mexico by Susan Bassett, John Elling, and Tony Rippo. Theprimary products are dedicated to data mining and activity prediction models.

Companies created: 1
Companies merged/acquired: 4
Total number of companies: 24
1999   The Napster file sharing system appears on the internet. COSMOlogic GmbH & CoKG, spun off from Bayer by Andreas Klamt. COSMOlogic offers computational chemistry software and services for the thermodynamics of liquids.

Materials Design s.a.r.l., in France and its sister company SciCo Inc. in California started by Erich Wimmer.

Molecular Applications Group sells its assets to Celera.

Interactive Simulations acquired by Reed-Elsevier publishers.

Scitegic formed in San Diego, CA by Matthew Hahn and David Rogers.

Companies created: 3
Companies merged/acquired: 2
Total number of companies: 25
2000     Synopsys Scientific Systems purchased by Pharmacopeia

Oxford Molecular Group purchased by Pharmacopeia

Afferent Systems purchased by MDL Information Systems

Companies created: 0
Companies merged/acquired: 2
Total number of companies: 23

Camitro purchased by ArQule

Trega Biosciences purchased by Lion Biosciences

Pharmacopeia combines Molecular Simulations, Synopsys Scientific Systems, and Oxford Molecular Group into a new subsidiary, Accelrys

Companies created: 0
Companies merged/acquired: 2
Total number of companies: 21

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