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. Adaptive and Dynamic Feedback Loops between Production System and Production Network based on the Asset Administration Shell
  2. Predicting the Difficulty of Exercise Items for Dynamic Difficulty Adaptation in Adaptive Language Tutoring
  3. The Scalable Question Answering Over Linked Data (SQA) Challenge 2018
  4. A Lightweight Simulation Model for Soft Robot's Locomotion and its Application to Trajectory Optimization
  5. Application of non-convex rate dependent gradient plasticity to the modeling and simulation of inelastic microstructure development and inhomogeneous material behavior
  6. Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition
  7. On the Power and Performance of a Doubly Latent Residual Approach to Explain Latent Specific Factors in Multilevel-Bifactor-(S-1) Models
  8. Building a process layer for business applications using the blackboard pattern
  9. A discrete approximate solution for the asymptotic tracking problem in affine nonlinear systems
  10. Global text processing in CSCL with learning protocols
  11. Performance and Comfort when Using Motion-Controlled Tools in Complex Tasks
  12. Neural network-based adaptive fault-tolerant control for strict-feedback nonlinear systems with input dead zone and saturation
  13. N3 - A collection of datasets for named entity recognition and disambiguation in the NLP interchange format
  14. Comparing the Sensitivity of Social Networks, Web Graphs, and Random Graphs with Respect to Vertex Removal
  15. Optimal trajectory generation using MPC in robotino and its implementation with ROS system
  16. Multi-Parallel Sending Coils for Movable Receivers in Inductive Charging Systems
  17. On the Nonlinearity Compensation in Permanent Magnet Machine Using a Controller Based on a Controlled Invariant Subspace
  18. Paraphrasing Method for Controlling a Robotic Arm Using a Large Language Model
  19. Anomaly detection in formed sheet metals using convolutional autoencoders
  20. A Multilevel CFA-MTMM Model for Nested Structurally Different Methods
  21. Selection and Recognition of Statistically Defined Signals in Learning Systems
  22. Linux-based Embedded System for Wavelet Denoising and Monitoring of sEMG Signals using an Axiomatic Seminorm
  23. Neural Combinatorial Optimization on Heterogeneous Graphs
  24. Constructions and Reconstructions. The Architectural Image between Rendering and Photography
  25. Analyzing different types of moderated method effects in confirmatory factor models for structurally different methods
  26. Using the flatness of DC-Drives to emulate a generator for a decoupled MPC using a geometric approach for motion control in Robotino
  27. Dynamic Lot Size Optimization with Reinforcement Learning
  28. Latent structure perceptron with feature induction for unrestricted coreference resolution
  29. Intersection tests for the cointegrating rank in dependent panel data