Repository

Repository is empty

Poll

No polls currently selected on this page!

Mathematical chemistry

Code: 152853
ECTS: 5.0
Lecturers in charge:
Take exam: Studomat
Load:

1. komponenta

Lecture typeTotal
Lectures 12
* Load is given in academic hour (1 academic hour = 45 minutes)
Description:
Presentation of data. Data sets and partialy ordered data sets. Data mapping and grouping. Data clustering. Neural networks. Orthogonal polynomials. Fourier, Walsh, Hadamard and other transformations. Representation of chemical structures. Adjacency matrix. Distance matrix. Discrete mathematics in chemistry. Graphs. Algorithms on graphs. Complexity. Information theory in chemistry. Topology in chemistry. Chirality of molecules. Symmetry of molecules. Rigid and flexible molecules. Permutationally inverse groups. Molecular similarity. Molecular diversity. Combinatorial chemistry. Mathematical planning of chemical synthesis. Combinatorial counting. Isomers. Matching. Conjugated rings. Recurent counting. Molecular properties and their modeling by topological and other descriptors. QSAR (Quantitative Structure-Activity Relationship) and QSPR (Quantitative Structure-Property Relationship). Distributions. Statistics. Correlations. Factorial analysis
Literature:
  1. OBVEZNA LITERATURA:
    R.E. Merrifield, H.E. Simmons: Topological Methods in Chemistry, Wiley, New York 1989.
    G. Polya, R.C. Reed: Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds, Springer Verlag, Berlin 1987.
    D. Veljan: Kombinatorika s teorijom grafova, Školska knjiga, Zagreb 1989.
    D. Bishop: Group Theory and Chemistry, Dover Publications, New York 1993.
    R.B. King (ur.): Chemical Applications of Topology and Graph Theory, Elsevier, Amsterdam 1983.
    N. Trinajstić: Chemical Graph Theory, CRC Press, Boca Raton 1983.
  2. DOPUNSKA LITERATURA:
    revijalni članci i znanstvene monografije
1. semester
Izborni kolegiji za smjer analitička kemija - Mandatory smjer - Analytical chemistry
Izborni kolegiji za smjer biokemija - Mandatory smjer - Biochemistry
Izborni kolegiji za smjer anorganska i strukturna kemija - Mandatory smjer - Inorganic and structural chemistry
Izborni kolegiji za smjer organska kemija - Mandatory smjer - Organic chemistry
Izborni kolegiji za smjer fizikalna kemija - Mandatory smjer - Physical chemistry

3. semester
Izborni predmeti doktorski studij kemije - Mandatory smjer - Analytical chemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Biochemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Inorganic and structural chemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Organic chemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Physical chemistry
Consultations schedule: