1-year Student Position in
Cheminformatics – 0700468
Job Description
Purpose of the Role:
The project "Shape-based Similarity and Diversity Measures"
is aimed at applying in-silico methods to the design and
selection of combinatorial libraries. The successful candidate
will perform literature mining, evaluate existing approaches and
develop a standardized workflow that can be integrated into our
drug discovery process. S/He will have the opportunity to
present and publish the results.
Main Tasks & Responsibilities:
The way in which combinatorial chemistry and the concepts of
similarity and diversity are applied in modern drug discovery
has changed considerably since their early heydays.
After an introduction to the methodology and the background, the
project will start with the extraction of suitable training sets
(libraries, actives, X-ray structures) from the literature,
notably for the major target classes, kinases and GPCRs. With
these in hand, the following questions should be addressed:
How useful is diversity: are there universally disfavoured
regions in shape-space, where compounds have a lower likelihood
of being bioactive? Can shape-similarity be used for focusing,
i.e. do actives for targets / target classes cluster closely
enough to warrant the inclusion of a corresponding criterion in
the selection process? How sensitive is the method to its
parameters, e.g. the way to describe flexible molecules? The
results will directly benefit the early phases of small-molecule
efforts by improving our capabilities in library design,
compound acquisition and selection. Although we will focus on
shape as a description of molecules, much of the developed
methodology will be applicable in a wider context.
Qualifications
Language & Education:
MSc or equivalent (or in the process of finishing studies)
in Chemistry with an interest in computational approaches;
alternatively, in one of the following fields, with a strong
background in chemistry: biology, pharmacology, scientific
computing, mathematics.
Good English is required, French or German would be an asset
Professional Skills & Experience:
Computer fluent; experience in UNIX or programming is a
plus.
At least basic understanding of combinatorial chemistry.
Experience in literature mining, data mining or in-silico
modeling is a plus.
Personal Qualifications & Competencies:
Potential to work independently
Flexibility and Resilience
Critical Analysis
Written And Spoken Communication
Organisation Description
Merck Serono International SA in Geneva is the Group’s
Headquarters (employing around 1,200 employees), consisting
mostly of Research, Clinical Development, Marketing, Support
Functions and the Corporate Management.
Merck Serono, a division of Merck KGaA, Darmstadt, Germany, is a
global business focusing on innovative prescription
pharmaceuticals with headquarters in Geneva, Merck Serono
International SA. The company was established following the
acquisition of Serono by Merck and the integration of the
business with the former Merck Ethicals division. The entity
counts more than 14'000 employees worldwide and has leading
brands serving patients in the areas of Oncology, Neurology,
CardioMetabolic Care, Reproductive Health and other therapeutic
areas in more than 150 countries.
Merck Serono International SA in Geneva employs over 1'000
employees in its brand new state-of-the-art facilities. The
Geneva Research Center (GRC) is an integral part of the global
research operations of Merck Serono International S.A. It is
also home to an integrated, multinational team of around 200,
highly qualified scientists. We focus on the early stages of
drug discovery, with the aim of discovering new therapeutics in
Multiple Sclerosis and other neurological or autoimmune
diseases, by building on an in-depth understanding of human
disease mechanisms and using innovative science at the interface
of genetics, biology, chemistry, biotechnology and pharmacology.
Application Process
General questions about the student program or any
particular vacancy should be addressed to the Human Resources
department, questions on the scientific content can be sent to
Wolfgang.Sauer-at-MerckSerono.net. Applications have to be
submitted via the
Merck Serono website, using the reference number in the
first line.Last updated:
October 5, 2007 |
