Pure Appl. Chem., 1990, Vol. 62, No. 10, pp. 1921-1932
http://dx.doi.org/10.1351/pac199062101921
CAMEO: a program for the logical prediction of the products of organic reactions
CrossRef Cited-by Linking
- Rappoport Dmitrij, Galvin Cooper J., Zubarev Dmitry Yu., Aspuru-Guzik Alán: Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry. J. Chem. Theory Comput. 2014, 10, 897. <http://dx.doi.org/10.1021/ct401004r>
- Ravitz Orr: Data-driven computer aided synthesis design. Drug Discovery Today: Technologies 2013, 10, e443. <http://dx.doi.org/10.1016/j.ddtec.2013.01.005>
- Foti Christopher, Alsante Karen, Cheng Guilong, Zelesky Todd, Zell Mark: Tools and workflow for structure elucidation of drug degradation products. TrAC Trends in Analytical Chemistry 2013, 49, 89. <http://dx.doi.org/10.1016/j.trac.2013.06.005>
- Parenty Alexis D. C., Button William G., Ott Martin A.: An Expert System To Predict the Forced Degradation of Organic Molecules. Mol. Pharmaceutics 2013, 10, 2962. <http://dx.doi.org/10.1021/mp400083h>
- Kayala Matthew A., Baldi Pierre: ReactionPredictor: Prediction of Complex Chemical Reactions at the Mechanistic Level Using Machine Learning. J. Chem. Inf. Model. 2012, 52, 2526. <http://dx.doi.org/10.1021/ci3003039>
- Warr Wendy A.: Representation of chemical structures. WIREs Comput Mol Sci 2011, 1, 557. <http://dx.doi.org/10.1002/wcms.36>
- Kayala Matthew A., Azencott Chloé-Agathe, Chen Jonathan H., Baldi Pierre: Learning to Predict Chemical Reactions. J Chem Inf Model 2011, 51, 2209. <http://dx.doi.org/10.1021/ci200207y>
- JORGENSEN W. L., LAIRD E. R., GUSHURST A. J., FLEISCHER J. M., GOTHE S. A., HELSON H. E., PADERES G. D., SINCLAIR S.: ChemInform Abstract: CAMEO: A Program for the Logical Prediction of the Products of Organic Reactions. ChemInform 2010, 22, no. <http://dx.doi.org/10.1002/chin.199105361>
- Ott Martin A., Noordik Jan H.: Computer tools for reaction retrieval and synthesis planning in organic chemistry. A brief review of their history, methods, and programs. Recl Trav Chim Pays-Bas 2010, 111, 239. <http://dx.doi.org/10.1002/recl.19921110601>
- van Rozendaal Erik L. M., Ott Martin A., Scheeren Hans W.: A LHASA analysis of taxol. Recl Trav Chim Pays-Bas 2010, 113, 297. <http://dx.doi.org/10.1002/recl.19941130507>
- Qiu Fayang: Strategic efficiency — The new thrust for synthetic organic chemists. Can J Chem 2008, 86, 903. <http://dx.doi.org/10.1139/v08-120>
- Goodman Jonathan M., Socorro Ingrid M.: Computational assessment of synthetic procedures. J Comput Aided Mol Design 2007, 21, 351. <http://dx.doi.org/10.1007/s10822-007-9120-4>
- Baertschi Steven W.: Analytical methodologies for discovering and profiling degradation-related impurities. Trends in Analytical Chemistry 2006, 25, 758. <http://dx.doi.org/10.1016/j.trac.2006.05.012>
- Fic Grzegorz, Nowak Grazyna: The CSB approach to prediction of chemical reactions. CHEM INTELL 2005, 75, 137. <http://dx.doi.org/10.1016/j.chemolab.2004.05.013>
- Socorro Ingrid M., Taylor Keith, Goodman Jonathan M.: ROBIA: A Reaction Prediction Program. Org Lett 2005, 7, 3541. <http://dx.doi.org/10.1021/ol0512738>
- Freed Anita L., Kale Uma, Ando Howard, Rossi David T., Kingsmill Carol A.: Improving the detection of degradants and impurities in pharmaceutical drug products by applying mass spectral and chromatographic searching. J Pharm Biomed Anal 2004, 35, 727. <http://dx.doi.org/10.1016/j.jpba.2004.02.015>
- Waterman Kenneth C., Adami Roger C., Alsante Karen M., Hong Jinyang, Landis Margaret S., Lombardo Franco, Roberts Christopher J.: Stabilization of Pharmaceuticals to Oxidative Degradation. Pharm Dev Technol 2002, 7, 1. <http://dx.doi.org/10.1081/PDT-120002237>
- Waterman Kenneth C., Adami Roger C., Alsante Karen M., Antipas Amy S., Arenson Dan R., Carrier Rebecca, Hong Jinyang, Landis Margaret S., Lombardo Franco, Shah Jaymin C.: Hydrolysis in Pharmaceutical Formulations. Pharm Dev Technol 2002, 7, 113. <http://dx.doi.org/10.1081/PDT-120003494>
- Fuchs P.L.: Increase in intricacy—a tool for evaluating organic syntheses. Tetrahedron 2001, 57, 6855. <http://dx.doi.org/10.1016/S0040-4020(01)00474-4>
- Magni Sergio, Sello Guido: Reaction centre accessibility. I. Calculation of reaction centre congestion and influence of structure flexibility. Computers & Chemistry 2000, 24, 635. <http://dx.doi.org/10.1016/S0097-8485(00)00068-1>
- Magni Sergio, Sello Guido: Reaction centre accessibility. II. Role of reaction centre congestion in the calculation of reaction centre accessibility. Computers & Chemistry 2000, 24, 645. <http://dx.doi.org/10.1016/S0097-8485(00)00069-3>
- Sello Guido: Reaction classification by similarity: the influence of steric congestion. Tetrahedron 1998, 54, 5731. <http://dx.doi.org/10.1016/S0040-4020(98)00261-0>
- Wojciechowski K.T, Malecki A, Prochowska-Klisch B, Fic G, Nowak G: REACTKIN���a program for modelling the chemical reactions in electrolytes solutions. Computers & Chemistry 1998, 22, 89. <http://dx.doi.org/10.1016/S0097-8485(97)00048-X>
- Sello Guido, Termini Manuela: Classification of organic reactions using similarity. Tetrahedron 1997, 53, 14085. <http://dx.doi.org/10.1016/S0040-4020(97)00911-3>
- Prickett S.E., Mavrovouniotis M.L.: Construction of complex reaction systems—II. Molecule manipulation and reaction application algorithms. Comput Chem Engrg 1997, 21, 1237. <http://dx.doi.org/10.1016/S0098-1354(97)00003-3>
- Zeigarnik Andrei V, Bruk Lev G, Temkin Oleg N, Likholobov Vladimir A, Maier Lyubob' I: Computer-aided studies of reaction mechanisms. RUSS CHEM REV 1996, 65, 117. <http://dx.doi.org/10.1070/RC1996v065n02ABEH000202>
- Ihlenfeldt Wolf-Dietrich, Gasteiger Johann: Computergestützte Planung organisch-chemischer Synthesen: die zweite Programmgeneration. Angew Chem 1995, 107, 2807. <http://dx.doi.org/10.1002/ange.19951072304>
- Valdés-Pérez Raúal E.: Algorithm to test the structural plausibility of a proposed elementary reaction. J Comput Chem 1993, 14, 1454. <http://dx.doi.org/10.1002/jcc.540141207>
- Lushnikov D. E., Babaev E. V.: Molecular design of heterocycles. 4. Utilization of computers in the chemistry of heterocycles (review). Chem Heterocycl Compd 1993, 29, 1111. <http://dx.doi.org/10.1007/BF00538054>
- Valdés-Pérez Raúl E.: Algorithm to generate reaction pathways for computer-assisted elucidation. J Comput Chem 1992, 13, 1079. <http://dx.doi.org/10.1002/jcc.540130906>
- Gordeeva Ekaterina V., Lushniknov Dmitri E., Zefirov Nikolai S.: COMPASS Program - An Original Semi-Emperical Approach To Computer-Assisted Synthesis. Tetrahedron 1992, 48, 3789. <http://dx.doi.org/10.1016/S0040-4020(01)92270-7>