DM832: Cheminformatics (5 ECTS)

STADS: 15013301

Level
Master's level course

Teaching period
The course is offered in the autumn semester.
Offered according to needs

Teacher responsible
Email: daniel@imada.sdu.dk

Timetable
Show entire timetable
Show personal time table for this course.

Comment:
Ubegrænset deltagerantal. 1. kvartal.

Prerequisites:
None

Academic preconditions:
Knowledge about algorithms, data structures and complexity corresponding to e.g. DM507 and DM508. The content of DM515 Introduction to Integer Programming and DM517 Computability is assumed to be known.

Course introduction
Cheminformatics (or Chemoinformatics) is a field of research that combines methods from computer science and chemistry with the aim of solving chemical problems efficiently. The course will provide the necessary theoretical background to solve such problems. The participants will learn how to apply the methods in order to study complex interactions in chemical and biological systems and to discover new emerging properties arising from the systemic viewpoint.

Expected learning outcome
At the end of the course the student should be able to

• apply and explain methods, models, and algorithmic ideas covered in the course,
• formulate the above in precise language and notation,
• implement algorithms and data structures from the course,
• describe the implementation and experimental work done in clear and precise language, and in a structured fashion.

Subject overview

• Representation of Molecular Structures
• Structure Descriptors
• Artificial Chemistries
• Graph Grammars
• Stoichiometric Models
• Metabolic Networks and Metabolic Pathways
• Flux Balance Analysis
• Organization Theory
• Petri nets

Literature

Meddeles ved kursets start.

Website
This course uses e-learn (blackboard).

Prerequisites for participating in the exam
None

Assessment and marking:

1. Manatory assignments. Evaluatet with Pass/fail, internal evaluation by teacher
2. Oral examination. Danish 7 mark scale, external examiner, 5 ECTS

It is required that the manatory assignments are approved in order to take the oral examination. The assignment are valid until the reexamination and cannot be carried through to the following year.

Expected working hours
The teaching method is based on three phase model.
Intro phase: 28 hours
Skills training phase: 14 hours, hereof:
 - Tutorials: 14 hours

Educational activities

Language
This course is taught in Danish or English, depending on the lecturer. However, if international students participate, the teaching language will always be English.

Remarks
The course is located in the autumn semester. The course is taught when needed.

Course enrollment
See deadline of enrolment.

Tuition fees for single courses
See fees for single courses.