Publications

Papers

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

  2. Restrepo, G. Chemical space: limits, evolution and modelling of an object bigger than our universal library. Digital Discovery 2022, DOI: 10.1039/D2DD00030J

  3. 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 .

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

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

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

  7. 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.

  8. 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.

  9. 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.

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

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

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

  13. 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.

  14. 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!

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

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

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

  18. 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!

  19. 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!

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

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

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

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

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

  25. 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

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

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

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

  29. 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.

  30. 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.

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

  32. 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.

  33. 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.

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

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

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

  37. 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.

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

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

  40. 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.

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

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

  43. 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.

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

  45. 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.

  46. 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.

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

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

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

  50. 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.

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

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

  53. 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.

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

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

  56. 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.

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

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

  59. 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.

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

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

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

  63. 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.

Authored books

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

Edited books

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

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

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

Book chapters

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

Book reviews

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

Preprints

  1. 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.

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

  3. 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.

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

Abstracts

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

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

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

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

Editorials, Reports & Personal Notes

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

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

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

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

  5. 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.

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

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

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

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

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

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

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

  13. 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.

Magazine publications

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

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

  3. 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.