While bioinformatics methods deal with the analysis of sequence information (be it proteins or DNA), the field of cheminformatics is concerned with the analysis of small-molecule datasets.

Promotor: Prof.dr. T. Hankemeier, Co-Promotores: T. Reijmers, L. Coulier

This thesis describes the importance of being able to control the selectivity of potential drug candidates.

The Data-Driven Drug Discovery Network (D4N) is an initiative by researchers from Leiden University and collaborators to join efforts in applying and developing novel techniques from data science to drug discovery and related topics from bioinformatics. The network is embedded in the Leiden Centre of…

Promotor: A.P.IJzerman Co-promotor: A. Bender

Supervisor: Gerard van Westen

Key publications of the Computational Drug Discovery group

The division of Drug Discovery and Safety combines the former divisions Toxicology and Medicinal Chemistry.

In the research programme Drug Discovery & Safety, we are interested in the efficacy and safety of new drugs and novel means to decipher these aspects. Hence, we employ advanced imaging and high-throughput screening techniques next to computational approaches such as chem- and bioinformatics.

The master's specialisation Drug Discovery and Safety at Leiden University provides students with research-oriented education into the discovery of new drug targets and new lead molecules, particularly in the field of cancer, through a combination of advanced imaging techniques (‘systems microscopy’),…

We are interested in the efficacy and safety of new drugs and novel means to decipher these aspects. Hence, we employ advanced imaging and high-throughput screening techniques next to computational approaches such as chem- and bioinformatics.

We are committed to provide you with meaningful, rigorous and quality graduate experiences in a personalized environment with a cutting edge research infrastructure and internationally renowned supervisors.

Data analysis with Python and R are rapidly becoming essential skills for modern scientists. Therefore, we are offering courses to develop your scientific computing skills. Those courses are optional for LACDR PhD candidates.

Research in this group, headed by Gerard van Westen, focusses on computational methods integrated in different parts of the drug discovery process. More specifically, topics include innovative treatments for cancer, selectivity modeling, translational research, allosteric modulation, drug resistance…

Science, Leiden Academic Centre for Drug Research (LACDR)

The two-years MSc programme spans the entire spectrum of Analytical BioSciences, Biopharmaceutics, Drug Delivery Technology, Medicinal Chemistry, Pharmacology and Toxicology.

The need for novel drugs as well as innovations in their development and application is as urgent as ever. Below we present our vision , mission, and our key research areas.

Brand-new professor Gerard van Westen works at the intersection of artificial intelligence and drug development. For the new chair in Artificial Intelligence and Medicinal Chemistry, he uses computer models to make drug development more efficient. Our ultimate goal is a virtual human which allows you…

Gerard van Westen (LACDR/division of medicinal chemistry) has been awarded with a VENI grant from NWO, the Dutch Research Council.

The ability to collect and interpret huge quantities of data has become indispensable to society and academia. Leiden University is a knowledge and expertise centre for data science that places the emphasis on interdisciplinary collaboration and innovation.

There are many complex links in the chain that provides patients with new drugs: from fundamental science, to clinical tests, to production. The entire chain can be found in Leiden. The University, the Leiden University Medical Center (LUMC) and the businesses at the Leiden Bio Science Park (LBSP) work…

Gerard van Westen has been appointed full Professor or Artificial Intelligence and Medicinal Chemistry. This chair has been jointly created by the Leiden Academic Centre for Drug Research (LACDR) and the Leiden Institute of Chemistry (LIC) as part of SAILS, the university stimulus program in Artificial…