Publications

Garcia-Chung, A.; Bermúdez-Montaña, M.; Stadler, P. F.; Jost, J.; Restrepo, G. Chemically inspired Erdős-Rényi hypergraphs. J. Math. Chem. https://doi.org/10.1007/s10910-024-01595-8.

Jost, J.; Lalli, R.; Laubichler, M. D.; Olbrich, E.; Renn, J.; Restrepo, G.; Stadler, P. F.; Wintergrün, D. Computational History: Challenges and Opportunities of Formal Approaches. J. Soc. Comput. 2023, 4, 232-242.

Seeman, J.; Restrepo, G. On the nonexistent Nobel Prizes for two pioneers of modern physical organic chemistry: Sir Christopher K. Ingold and Saul Winstein.  J. Phys. Org. Chem. 2023 e4551. https://doi.org/10.1002/poc.4551.

M. Bran, A. M.; Stadler, P. F.; Jost, J.; Restrepo, G. The six stages of the convergence of the periodic system to its final structure. Commun. Chem. 2023, 6, 87. https://doi.org/10.1038/s42004-023-00883-9

Seeman, J.; Restrepo, G. The Uncertain Role of Nominations in the Nobel Prize for Chemistry.  Chem. Eur. J. 2023 https://doi.org/10.1002/chem.202203985.

Jost, J.; Restrepo, G. Self reinforcing mechanisms driving the evolution of the chemical space. Perspectives on Science 2023, 7, 1-39.

Restrepo, G. Chemical space: limits, evolution and modelling of an object bigger than our universal library. Digital Discovery 2022, 1, 568–585.

Leal, W.; Llanos, E. J.; Bernal, A.; Stadler, P. F.; Jost, J.; Restrepo, G. The expansion of chemical space in 1826 and in the 1840s prompted the convergence to the periodic system.  P. Natl. Acad. Sci. USA 2022, 119, e2119083119 .

Restrepo, G. Computational history of chemistry. Bull. Hist. Chem. 2022, 47, 91-106.

Restrepo, G. Semiotic thoughts on biological sequence representations. Comb. Chem. High T. Scr. 2022, 25, 349-353.

Leal, W; Restrepo, G.; Stadler, P. F.; Jost, J. Forman-Ricci curvature for hypergraphs. Adv. Complex. Syst. 2021, 24,  DOI: 10.1142/S021952592150003X

Seeman, J.; Restrepo, G. Rolf Huisgen, Eminent Chemist, Born June 13, 1920. In His Own Words and In His Publication Metrics.  Angew. Chem. Int. Edit. 2020, 59, 12250-12666.

Seeman, J.; Restrepo, G. The mutation of the “Nobel Prize in chemistry” into the “Nobel Prize in chemistry or life sciences”:  several decades of transparent and opaque evidence of change within the Nobel Prize program.  Angew. Chem. Int. Edit. 2020, 59, 2942-2961.

Llanos, E. J.; Leal, W.; Luu, D. H.; Jost, J.; Stadler, P. F.; Restrepo, G.   Exploration of the chemical space and its three historical regimes. P. Natl. Acad. Sci. USA 2019, 116, 12660-12665.

Leal, W.; Restrepo, G. Formal structure of periodic system of elements. Proc. R. Soc. A 2019, 475: 20180581

Restrepo, G. Challenges for the periodic systems of elements: chemical, historical and mathematical perspectives. Chem. Eur. J. 2019, 25, 15430-15440.

Restrepo, G. Compounds bring back chemistry to the system of chemical elements. Substantia.  2019, 3, 115-124.

Quintero, N.; Bruggemann, R.; Restrepo, G. Mapping posets into low dimensional spaces: The case of uranium trappers. MATCH Commun. Math. Comput. Chem. 2018, 80, 793-820.

Quintero, N.; Bruggemann, R.; Restrepo, G. Ranking of 38 prokaryotes according to their uranium uptake capacity in aqueous solutions: An approach from order theory through the Hasse Diagram Technique. Toxicol. Environ. Chem. 2017, 99, 1242-1269. 50 free eprints!

Restrepo, G.; Willett, P.  The Journal of Mathematical Chemistry: A Bibliometric Profile. J. Math. Chem. 2017, 55, 1589-1596.

Restrepo, G.; Willett, P.  A bibliometric profile of MATCH Communicationsin Mathematical and in Computer Chemistry. MATCH Commun. Math. Comput. Chem. 2017, 77, 235-242.

Restrepo, G. Lemont B. Kier: art, science and green cheese. Curr. Comput-Aid Drug. 2016, 12, 314-324.

Restrepo, G.; Stadler, P. F. Assessing greenness of chemical reactions and synthesis plans through posetic landscapes. ACS Sustainable Chem. Eng., 2016, 4, 2191–2199. 50 free eprints!

Leal, W.; Llanos, E. J.; Restrepo, G.; Suárez, C. F.; Patarroyo, M. E. How frequently do clusters occur in hierarchical cluster analysis?: A graph theoretical approach to studying ties in proximity. J. Cheminform., 2016, 8, 4. Open access!

Restrepo, G.; Harré, R. Mereology of quantitative structure-activity relationships models. HYLE – Int. J. Phil. Chem., 2015, 21, 19-38.

Rincón-Villamizar, E.; Restrepo, G. Rules relating hepatotoxicity with structural attributes of drugs. Toxicol. Environ. Chem. 2014, 96, 594-613. 50 free eprints!

Restrepo, G.; Bernal, A. Ordering molecular energies by moving boxes. Chem. Phys. Lett. 2014, 612, 51-55.  Audioslides

Restrepo, G.; Schummer, J. Philosophical aspects of mathematical chemistry. MATCH Commun. Math. Comput. Chem. 2014, 72, 589-599.

Brüggemann, R.; Restrepo, G. Estimating Octanol / Water partition coefficients by order preserving mappings. Croat. Chem. Acta. 2013, 86, 509-517.

Restrepo, G.; Llanos, E. J.; Silva, A. E. Lemont B. Kier: a bibliometric exploration of his scientific production and its use. Curr. Comput-Aid Drug. 2013, 9, 491-505. Podcast

Quintero, N.; Cohen, I. M.; Restrepo, G. Relating β+ radionuclides' properties by order theory. J. Radioanal. Nucl. Ch., 2013, 298, 1937-1946.

Restrepo, G.; Villaveces, J. L. Discrete mathematical chemistry: social aspects of its emergence and reception. HYLE – Int. J. Phil. Chem., 2013, 19, 19-33.

Restrepo, G. To mathematize, or not to mathematize chemistry. Found. Chem. 2013, 15, 185-197.

Quintero, N.; Cohen, I.; Restrepo, G. Chemotopological study of positron emitters radionuclides used in PET diagnostic imaging: physical, physico-chemical, dosimetric, quantum and nuclear properties. J. Radioanal. Nucl. Ch. 2013, 295, 823-833.

Brüggemann, R.; Restrepo, G.; Voigt, K.; Annoni, P. Weighting intervals and ranking, exemplified by leaching potential of pesticides. MATCH Commun. Math. Comput. Chem. 2013, 69, 413-432.

Restrepo, G.; Villaveces, J. L. Mathematical thinking in chemistry. HYLE – Int. J. Phil. Chem., 2012, 18, 3-22.

Leal, W.; Restrepo, G.; Bernal, A. A network study of chemical elements: from binary compounds to chemical trends.  MATCH Commun. Math. Comput. Chem. 2012, 68, 417-442.

De Loof, K; Rademaker, M.; Brüggemann, R.; De Meyer, H.; Restrepo, G.; De Baets, B. Order-theoretical tools to support risk assessment of chemicals. MATCH Commun. Math. Comput. Chem. 2012, 67, 213-230.

Restrepo, G.; Villaveces, J. L. Chemistry, a lingua philosophica. Found. Chem. 2011, 13, 233-249.

Restrepo, G.; Klein, D. J. Predicting densities of nitrocubanes using partial orders. J. Math. Chem. 2011, 49, 1311-1321.

Restrepo, G.; Brüggemann, R.; Klein, D. Partially ordered sets: ranking and prediction of substances' properties. Curr. Comput-Aid Drug. 2011, 7, 133-145.

Restrepo, G.; Basak, S. C.; Mills, D. Comparison of SAR and QSAR approaches to mutagenicity of aromatic and heteroaromatic amines. Curr. Comput-Aid Drug. 2011, 7, 109-121.

Restrepo, G.; Mesa, H. Chemotopology: beyond neighbourhoods. Curr. Comput-Aid Drug. 2011, 7, 90-97.

Brüggemann, R.; Kerber, A.; Restrepo, G. Ranking objects using fuzzy orders, with an application to refrigerants. MATCH Commun. Math. Comput. 2011, 66, 581-603.

Nava, J.; Kreinovich, V.; Restrepo, G.; Klein, D. Discrete Taylor series as a simple way to predict properties of chemical substances like benzenes and cubanes. J. Uncert. Syst. 2010, 4, 270-290.

Klein, D. J.; Rosenfeld, V.; Restrepo, G. Stereo-chemical combinatorics & beyond. AIP Conf. Proc. 2009, 1148, 421-424.

Mesa, H.; Restrepo, G. On dendrograms and topologies. MATCH Commun. Math. Comput. 2008, 60, 371-384.

Brüggemann, R.; Voigt, K.; Restrepo, G.; Simon, U. The concept of stability fields and hot spots in ranking of environmental chemicals. Environ. Modell. Softw. 2008, 23, 1000-1012.

Restrepo, G.; Weckert, M.; Brüggemann, R.; Gerstmann, S.; Frank, H. Ranking of refrigerants, Environ. Sci. Technol. 2008, 42, 2925-2930.

Restrepo, G.; Brüggemann, R.; Weckert, M.; Gerstmann, S.; Frank, H. Ranking patterns, an application to refrigerants. MATCH Commun. Math. Comput. Chem. 2008, 59, 555-584.

Restrepo, G.; Brüggemann, R. Dominance and separability in posets, their application to isoelectronic species with equal total nuclear charge, J. Math. Chem. 2008, 44, 577-602.

Restrepo, G.; Mesa, H.; Llanos, E. J. Three dissimilarity measures to contrast dendrograms. J. Chem. Inf. Model. 2007, 47, 761-770.

Restrepo, G.; Brüggemann, R. Partially ordered sets in the analysis of alkanes fate in rivers. Croat. Chem. Acta 2007, 80, 261-270.

Restrepo, G.; Pachón, L. Mathematical aspects of the periodic law. Found. Chem. 2007, 9, 189-214.

Brüggemann, R.; Restrepo, G.; Voigt, K. Structure-fate relationships of organic chemicals derived from the software packages E4CHEM and WHASSE. J. Chem. Inf. Model. 2006, 46, 894-902.

Restrepo, G.; Llanos, E. J.; Mesa, H. Topological space of the chemical elements and its properties. J. Math. Chem. 2006, 39, 401-416.

Restrepo, G.; Llanos, E. J.; Mesa, H. On the topological sense of chemical sets. J. Math. Chem. 2006, 39, 363-376.

Daza, M. C.; Restrepo, G.; Uribe, E. A.; Villaveces, J. L. Quantum chemical and chemotopological study of fourth row monohydrides. Chem. Phys. Lett. 2006, 428, 55-61.

Restrepo, G.; Brüggemann, R. Ranking regions through cluster analysis and posets. WSEAS Trans. Inf. Sci. Appl. 2005, 2, 976-981.

Brüggemann, R.; Restrepo, G.; Voigt, K. Towards an evaluation of chemicals. WSEAS Trans. Inf. Sci. Appl. 2005, 2, 1023-1033.

Uribe, E. A.; Daza, M. C.; Restrepo, G. Chemotopological study of the fourth period mono-hydrides. WSEAS Trans. Inf. Sci. Appl. 2005, 2, 1085-1090.

Restrepo, G.; Villaveces, J. L. From trees (dendrograms and consensus trees) to topology. Croat. Chem. Acta, 2005, 78, 275-281.

Restrepo, G. Química matemática y la Universidad de Pamplona. Bistua, 2005, 3, 61-76.

Restrepo, G.; Mesa, H.; Llanos, E. J.; Villaveces, J. L. Topological study of the periodic system. J. Chem. Inf. Comput. Sci. 2004, 44, 68-75.

Restrepo, G. Los elementos químicos, su matemática y relación con el sistema periódico. Bistua, 2004, 1, 91-98.

Restrepo, G. Review: Para enseñar no basta con saber la asignatura. Doc. Univers. UIS, 2003, 4, 157-159.

Restrepo, G. ¿Cambio físico o químico? La clasificación en el camino del aprendizaje. Doc. Univers. UIS, 2002, 3, 57-64.

Kouznetsov, V.; Zubkov, F.; Palma, A.; Restrepo, G. A simple synthesis of spiro-C6-annulated hydrocyclopenta[g]indole derivatives. Tetrahedron Lett. 2002, 43, 4707-4709.

The evolution of chemical knowledge: a formal setting for its analysis, Restrepo,  G.; Jost, J. Springer: Berlin, 2022.

Mendeleev to Oganesson: A Multidisciplinary Perspective on the Periodic Table, Scerri, E.; Restrepo, G., Eds.; Oxford University Press: New York, USA, 2017.

Advances in mathematical chemistry and applications, Volume 2, Basak, S. C.; Restrepo, G.; Villaveces, J. L., Eds.; Elsevier-Bentham: Sharjah, UAE, 2015.

Advances in mathematical chemistry and applications, Volume 1, Basak, S. C.; Restrepo, G.; Villaveces, J. L., Eds.; Elsevier-Bentham: Sharjah, UAE, 2014.

Restrepo, G. Approaching history of chemistry through big data on chemical reactions and compounds. In: Big Data Analytics in Chemoinformatics and Bioinformatics. Basak, S.;  Vracko, M., Eds.; Elsevier: Amsterdam, 2022.

Restrepo, G. A formal approach to the conceptual development of chemical element. In: What Is A Chemical Element? A Collection of Essays by Chemists, Philosophers, Historians, and Educators, Scerri, E.; Ghibaudi, E., Eds.; Oxford University Press: New York, USA, 2020.  

Restrepo, G. The Periodic System: A Mathematical Approach. In: Mendeleev to Oganesson: A Multidisciplinary Perspective on the Periodic Table, Scerri, E.; Restrepo, G., Eds.; Oxford University Press: New York, USA, 2017.

Restrepo, G. Building classes of similar chemical elements from binary compounds and their stoichiometries. In: Elements Old and New: Discoveries, Developments, Challenges, and Environmental Implications, Benvenuto, M. A.; Williamson, T., Eds.; ACS Symposium Series; American Chemical Society; Washington, DC, USA, 2017; Chapter 5, 95-110.

Restrepo, G. Una mirada a la estructura de semejanzas del sistema periódico de los elementos químicos. In: Un Festschriftt para José Luis Villaveces, Arboleda, L. C., Ed.; Academia Colombiana de Ciencias Exactas, Físicas y Naturales: Bogota, Colombia, 2017.

Quintero, N. Y.; Restrepo, G. Formal Concept Analysis applications in chemistry: from radionuclides and molecular structure to toxicity and diagnosis. In Partial Order Concepts in Applied Sciences, Fattore, M.; Brüggemann, R., Eds.; Springer: Berlin, Germany, 2016; Chapter 14.

Restrepo, G. Mathematical chemistry, a new discipline. In Essays in the philosophy of chemistry, Scerri, E.; Fisher, G., Eds.; Oxford University Press: New York, UK, 2016; Chapter 15, 332-351.

Bernal, A.; Llanos, E.; Leal, W.; Restrepo, G. Similarity in Chemical Reaction Networks: Categories, Concepts and Closures. In Advances in mathematical chemistry and applications, Basak, S. C.; Restrepo, G.; Villaveces, J. L., Eds.; Bentham:  Sharjah, UAE, 2015; Chapter 2, 24-54.

Restrepo, G. Ordering thinking in chemistry. In Advances in mathematical chemistry and applications, Volume 1, Basak, S. C.; Restrepo, G.; Villaveces, J. L., Eds.; Bentham: Sharjah, UAE, 2014; Chapter 2, 24-41.

Restrepo, G. Quantifying complexity of partially ordered sets. In Multi-indicator systems and modelling in partial order; Bruggemann, R.; Carlsen, L.; Wittmann, J., Eds.; Springer: Berlin, Germany, 2014; Chapter 5, 85-106.

Quintero, N.; Cohen, I. M.; Restrepo, G. Radio-labelled nanoparticles using beta+ radionuclides as diagnostic agents: an overview and a chemotopological approach. In Nanoscience and computational chemistry: research progress; Castro, E. A.; Haghi, A. K.; Mercader, A. G., Eds.; Apple Academic Press: New York, USA, 2013; Chapter 2. 25-84.

Brüggemann, R.; Restrepo, G.; Voigt, K. Towards a new and advanced partial order program: Pyhasse. In Multicriteria ordering and ranking: Partial orders, ambiguities and applied issues; Owsinski, J. W.; Brüggemann, R., Eds.; Warsaw, Poland, 2008; 11-33.

Restrepo, G.; Mesa, H.; Llanos, E. J.; Villaveces, J. L. Topological study of the periodic system. In The mathematics of the periodic table; King, B.; Rouvray, D., Eds.; Nova: New York, USA, 2006; Chapter 5, 75-100.

Restrepo, G. 150 Years of the Periodic Table: A Commemorative Symposium. Ambix 2022, DOI: 10.1080/00026980.2022.2137978

Garcia-Chung, A.; Bermúdez-Montaña, M.; Stadler, P. F.; Jost, J.; Restrepo, G. Chemically inspired Erdős-Rényi oriented hypergraphs. ArXiv 2023.

Bran, A. M.; Stadler, P. F.; Jost, J.; Restrepo, G. Periodic system converges and is affected by wars. ChemRxiv 2022.

Leal, W.; Llanos, E. J.; Bernal, A.; Stadler, P. F.; Jost, J.; Restrepo, G. Computational data analysis shows that key developments towards the periodic system occurred in the 1840s. ChemRxiv 2021.

Restrepo, G.; Jost, J. A formal setting for the evolution of chemical knowledge. MPI-MiS preprint 2020.

Leal, W.; Llanos, E. J.; Stadler, P. F.; Jost, J.; Restrepo, G. The chemical space from which the periodic system arose. MiS-preprint; ChemRxiv 2019.

Leal, W.; Restrepo, G.; Stadler, P. F.; Jost, J. Forman-Ricci curvature for hypergraphs. arXiv 2018.

Leal, W.; Llanos, E.; Bernal, A.; Restrepo, G.; Luu, D. H.; Jost, J.; Stadler, P. F. Exploring the hypergraph structure underlying the chemical space. NetSci-X 2020 Tokyo: International School and Conference on Network Science.

Llanos, E.; Leal, W.; Bernal, A.; Restrepo, G.; Jost, J.; Stadler, P. F. A Network model of the Chemical Space provides similarity structure to the system of chemical elements. The 8th International Conference on Complex Networks & Their Applications 308-310.

Llanos, E. J.; Leal, W.; Restrepo, G.; Stadler, P. Computational approach to the history of chemical reactivity: Exploring Reaxys database. In: Book of Abstracts, 254th American Chemical Society National Meeting & Exposition, Washington, D. C., August 20-24, 2017; American Chemical Society: Washington, DC, 2017; CINF-14.

Restrepo, G.; Stadler, P. Greenness of chemical reactions and synthesis plans using order theory. In: Book of Abstracts, 252nd American Chemical Society National Meeting & Exposition, Philadelphia, PA, August 21-25, 2016; American Chemical Society: Washington, DC, 2016; I&EC-24.

Restrepo, G. Periodic table from chemical compounds. In: Book of Abstracts, 252nd American Chemical Society National Meeting & Exposition, Philadelphia, PA, August 21-25, 2016; American Chemical Society: Washington, DC, 2016; ENVR-314.

Restrepo, G.; Leal, W.; Llanos, E.; Suarez, C.; Patarroyo, M. How frequent are your clusters in hierarchical cluster analysis? Quantifying their frequencies considering ties in proximity.  In: Book of Abstracts, 252nd American Chemical Society National Meeting & Exposition, Philadelphia, PA, August 21-25, 2016; American Chemical Society: Washington, DC, 2016; CINF-90.

Restrepo, G.; Villaveces, J. L. Periodic Table: elements or atoms?. J. Sci. Educ. 2009, 10, 166.

Restrepo, G.; Villaveces, J. L. Elements' neighbourhoods and the periodic table. J. Sci. Educ. 2009, 10, 166.

Leal, W.; Restrepo, G. Chemical elements, their sociology. J. Sci. Educ. 2009, 10, 126-127.

Weckert, M.; Restrepo, G.; Gerstmann, S.; Frank, H. Hasse diagram technique - Auseful tool for life cycle assessment of refrigerants. In EnviroInfo 2007, 21st international conference on informatics for environmental protection; Hryniewicz, O.; Studziński, J.; Szediw, A., Eds.; Shaker: Aachen, Germany, 2007; 219-226.

Restrepo, G.; Weckert, M.; Brüggemann, R.; Gerstmann, S.; Frank, H. Refrigerants ranked by partial order theory. In EnviroInfo 2007, 21st international conference on informatics for environmental protection; Hryniewicz, O.; Studziński, J.; Szediw, A., Eds.; Shaker: Aachen, Germany, 2007; 209-217.

Restrepo, G.; Brüggemann, R. Modelling the fate of alkanes in rivers. In Recent progress in computational sciences and engineering; Simos, T.; Maroulis, G., Eds.; VSP: Leiden, Netherlands, 2006; 1386-1389.

Restrepo, G. Chemical space and some ethical consequences of its uneven growth, EthiChem Newsletter, March 2023.

Restrepo, G. Rainer Brüggemann: Pioneer of ordering theory in chemistry and environmental sciences, Toxicological & Environmental Chemistry, 2023, https://doi.org/10.1080/02772248.2023.2180004

Jost, J.; Restrepo, G. Meeting report. Royal Society of Chemistry, Chemical Information and Computer Applications Group. 2021, Summer, 13-15.

Jost, J.; Restrepo, G. Meeting report. Royal Society of Chemistry, Historical Group. 2021, 80, 58-62.

Restrepo, G; Stadler, P. F.; Jost, J. Editorial. MATCH Commun. Math. Comput. Chem. 2018, 80, 541-545.

Restrepo, G.; Bruggemann, R.; Frank, H. Editorial. Toxicol. Environ. Chem. 2017, 99, 1242-1269.

Restrepo, G. José Luis Villaveces, el humano detrás del sabio. In: Un Festschriftt para José Luis Villaveces, Arboleda, L. C., Ed.; Academia Colombiana de Ciencias Exactas, Físicas y Naturales: Bogota, Colombia, 2017.

Restrepo, G. What Ike brought about and took away: a hurricane and Doug Klein. Croat. Chem. Acta. 2013, 86, CCCCXXXIII.

Basak, S. C.; Restrepo, G. Editorial. Curr. Comput-Aid Drug. 2013, 9, 447-448.

Restrepo, G.; Schummer, J. Editorial introduction.  HYLE – Int. J. Phil. Chem., 2013, 19, 1-2.

Restrepo, G. Editorial. Found. Chem. 2013, 15, 125-126.

Basak, S. C.; Restrepo, G. Editorial.  Curr. Comput-Aid Drug. 2012, 8, 83-84.

Restrepo, G.; Schummer, J. Editorial introduction.  HYLE – Int. J. Phil. Chem., 2012, 18, 1-2.

Restrepo, G.; Basak, S. C. Editorial.  Curr. Comput-Aid Drug. 2011, 7, 81-82.

Bernal, A.; Restrepo, G.; Villaveces, J. L. Conference report: Symposium on the Philosophy of Chemistry, Universidad de los Andes, Bogota, Colombia, 21-23 July 2009. HYLE – Int. J. Phil. Chem., 2010, 16, 45-47.

Restrepo, G. Zeit für eine neue Ordnung? Spektrum der Wissenschaft, 2022, 12th April.

Restrepo, G. Das periodische System und die Evolution des chemischen Raums. Nachr. Chem., 2020, 68, 12-15.

Restrepo, G. De presidentes de Colombia y reinas de belleza. Razón Pública. Semana del 5 de diciembre de 2011 al 11 de diciembre de 2011.