Fields · Physical Sciences · Computer Science

Computational Theory and Mathematics

area of mathematics

Papers listed on taxonomy pages are the top few works per node from the OpenAlex snapshot. That list is not exhaustive and is not an endorsement. The topic map and the journal registry remain separate: there is still no authoritative topic-to-venue or topic-to-organization edge. Search is a lexical lookup, not a claim that a venue publishes a topic.

Most cited

  1. A fast and elitist multiobjective genetic algorithm: NSGA-II

    Kalyanmoy Deb, Amrit Pratap, Sakshi Agarwal, T. Meyarivan · 2002 · IEEE Transactions on Evolutionary Computation · 49,211 citations

  2. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

    Oleg Trott, Arthur J. Olson · 2009 · Journal of Computational Chemistry · 38,310 citations

  3. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

    Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner · 2009 · Journal of Computational Chemistry · 25,653 citations

  4. On Information and Sufficiency

    S. Kullback, R. A. Leibler · 1951 · The Annals of Mathematical Statistics · 20,342 citations

  5. A logical calculus of the ideas immanent in nervous activity

    Warren S. McCulloch, Walter Pitts · 1943 · Bulletin of Mathematical Biology · 18,210 citations

  6. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

    Antoine Daina, Olivier Michielin, Vincent Zoete · 2017 · Scientific Reports · 17,925 citations

Most recent

  1. Hub genes in a pan-cancer co-expression network show potential for predicting drug responses

    Francisco Azuaje, Tony Kaoma, Céline Jeanty, Petr V. Nazarov · 2050 · Zenodo (CERN European Organization for Nuclear Research) · 0 citations

  2. In Silico Discovery of Porcupine Inhibitors from Indonesian Medicinal Plants for Modulating Wnt Overexpression in Embryonic Development

    Alfa Marzelino, Dona Suzana, Jonathan Oei · 2027 · Zenodo (CERN European Organization for Nuclear Research) · 0 citations

  3. In Silico Discovery of Porcupine Inhibitors from Indonesian Medicinal Plants for Modulating Wnt Overexpression in Embryonic Development

    Alfa Marzelino, Dona Suzana, Jonathan Oei · 2027 · Zenodo (CERN European Organization for Nuclear Research) · 0 citations

  4. The Architecture of Limitation: Manuscript I — Metaphysical Expression

    Schaut, F.L. · 2026 · PhilPapers (PhilPapers Foundation) · 2 citations

  5. Integrating in vitro pharmacokinetic screening and QSPR modeling for enhanced drug candidate selection

    Vladimir Dobričić · 2026 · DOAJ (DOAJ: Directory of Open Access Journals) · 0 citations

  6. AI potential in the pharmaceutical industr

    Grozdana Leshevska, Nena Smiljanovska · 2026 · DOAJ (DOAJ: Directory of Open Access Journals) · 0 citations

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