Using protochirons for three-dimensional coding of certain chemical structures.

Research output: Journal contributionsJournal articlesResearchpeer-review

Authors

For three-dimensional coding (including enantiomerism) of staggered paths and circuits on the diamond lattice, or paths/circuits with angles 90° or 180° on the cubic lattice, use is made of the previously defined paths-3 (paths of length three bonds defining two intersecting planes). The two cases mentioned above are examined and exemplified. In the diamond lattice there are three kinds of diamond-paths-3: one is achiral (Z) and two are chiral and enantiomeric (R and S). In the cubic lattice there are six kinds of orthopaths-3, of which only two are chiral and enantiomeric (R and S) and four are achiral (I, L, U, and Z). The chiral paths-3 are the previously defined protochirons in the respective lattice. Coding ascribes to each bond the letter that would characterize it if it were the central bond of an isolated path-3. To obtain a unique code out of several equally correct ones it is proposed to use the convention of inverse alphabetic priority in the above system of letters.

Translated title of the contributionVerwendung von Protochirons für dreidimensionale Codierung bestimmter chemischer Strukturen.
Original languageEnglish
JournalJournal of Chemical Information and Computer Science
Volume41
Issue number5
Pages (from-to)1145-1149
Number of pages5
ISSN0095-2338
DOIs
Publication statusPublished - 21.08.2001
Externally publishedYes

DOI

Recently viewed

Publications

  1. Recurrence quantificationanalysis as a general-purpose tool for bridging the gap between qualitative and quantitative analysis
  2. Using augmented video to test in-car user experiences of context analog HUDs
  3. Artificial Intelligence in Foreign Language Learning and Teaching
  4. In-Vehicle Sensor System for Monitoring Efficiency of Vehicle E/E Architectures
  5. Phase Shift APOD and POD Control Technique in Multi-Level Inverters to Mitigate Total Harmonic Distortion
  6. Safer Spaces
  7. Predicting recurrent chat contact in a psychological intervention for the youth using natural language processing
  8. Simulation-based Investigation of Energy Flexibility in the Optimization of Hinterland Drainage
  9. Much More Than Meets the Eye: Emotion Perception in Human-Robot Interaction
  10. Constructing strangeness
  11. Analyzing a transition to a sustainability-oriented science system in Germany
  12. Using LLMs in sensory service research
  13. Disabling barriers—Coping with accessibility of nature in Biosphere Reserves
  14. Bridging Restoration Science and Practice
  15. Introduction to the Handbook on Life Cycle Sustainability Assessment
  16. KUNTIKUM
  17. Integration trotz Segregation
  18. Barley (Hordeum distichon L.) roots produce volatile aldehydes derived from the lipoxygenase/hydroperoxide lyase pathway with a strong age-dependent pattern
  19. Demographic change in work organizations
  20. Chemistry and materials science for a sustainable circular polymeric economy
  21. Sprache, Flucht, Migration, Musik
  22. An applied methodology for stakeholder identification in transdisciplinary research
  23. Globalising the Study of Diffusion: Multiple Sources and the East African Community
  24. Handbook on Life Cycle Sustainability Assessment
  25. Gender differences in sense of coherence among university students during the COVID-19 pandemic in Turkey
  26. The pitfall-trap of species conservation priority setting
  27. Unsicher in Verhandlungsfragen?
  28. Translating picturebooks
  29. Global Consciousness Predicts Behavioral Responses to the COVID-19 Pandemic
  30. Kooperatives Umweltmanagement