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Physical Sciences → Computer Science → Computational Theory and Mathematics

Computational Drug Discovery Methods

This cluster of papers focuses on computational methods, virtual screening, and molecular docking techniques used in drug discovery. It covers topics such as drug target identification, pharmacokinetics, chemical properties, machine learning applications, polypharmacology, and network pharmacology.

173.5K works worldwide3.1M citations
Molecular DockingVirtual ScreeningDrug Target IdentificationQSAR ModelingPharmacokineticsChemical PropertiesMachine LearningPolypharmacologyNetwork PharmacologyMedicinal Chemistry

Journals publishing in this area

1International Journal of Advanced Chemistry Research cover
International Journal of Advanced Chemistry Research
ISSN 2664-678113 articles in this topic
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Articles on Scinovex in this research area

59 articles, most cited first · page 2 of 2

  1. Biologically important 26-32-membered macrocyclic complexes of manganese (II): In situ one pot template synthesis (IOPTS), characterization and bio-efficacy
    International Journal of Advanced Chemistry Research · 2023 · 0 citations · AI summary
  2. Exploring the chemical space of covalent inhibitors in medicinal chemistry
    International Journal of Advanced Chemistry Research · 2023 · 0 citations · AI summary
  3. Exploring polypharmacology in the development of multi-target drugs
    International Journal of Advanced Chemistry Research · 2023 · 0 citations · AI summary
  4. Synthesis and evaluation of dual-target ligands in pain management
    International Journal of Advanced Chemistry Research · 2023 · 0 citations · AI summary
  5. Biomarkers in leukemia
    International Journal of Advanced Biochemistry Research · 2021 · 0 citations · AI summary
  6. Role of chemistry in drug discovery and drug design
    International Journal of Advanced Chemistry Research · 2021 · 0 citations · AI summary
  7. A mini review diverse biological activities of heterocyclic indole analogues
    International Journal of Advanced Chemistry Research · 2019 · 0 citations
  8. The second hyper-zagreb indices and coindices of disjunction and symmetric difference of graphs
    International Journal of Advanced Chemistry Research · 2019 · 0 citations · AI summary
  9. Zagreb indices and Zagreb energies of some chemical compounds
    International Journal of Statistics and Applied Mathematics · 2018 · 0 citations