LABORATOIRE DE CHÉMOINFORMATIQUE

Pharmacophore

infochimie — 2012-06-07T19:26:46Z

Tutors

Sharon Bryan (Inte:Ligand), Jean-Christophe Mozziconacci (Schrödinger)

Software

Inte:Ligand
- LigandScout (http://www.inteligand.com/ligandscout/)
Schrödinger
- PhaseShape (http://www.schrodinger.com/products/14/34/)
- Phase (http://www.schrodinger.com/products/14/13/)
- Maestro (http://www.schrodinger.com/downloadcenter/10/)

Maestro can be downloaded for free for all academic users.

Datasets

The docking/pharmacophore dataset consists of 77 compounds: 11 active compounds and 66 decoys randomly selected from the QSAR classiﬁcation dataset. Structures are provided with 3D coordinates in mol2 format in the file named P29274_docking-random.mol2. Of note, one of the active compounds and 8 of the decoys have an undefined chiral center, hence the two possible stereoisomers were included in the dataset. The named P29274_docking-random.mol2 thus contains 86 structures. The structure name allows one to distinguish active compounds ("chembl" prefix) from decoys ("pubchemdecoy" prefix).

In order to be able to compare individual results and prepared benchmarks, we advise you to use the PDB entry 3EML, which you can download from the PDB (http://www.rcsb.org).

Download: LigandScout dataset

Download: LigandScout supplementary files. A2A virtual screening results using LigandScout on 1 million commercially available compounds.

Download PhaseShape supplementary files

Instructions

LigandScout tutorial (to be used with this dataset)
Training videos are available for Glide and Maestro here
PhaseShape tutorial

Docking

infochimie — 2012-06-07T18:49:02Z

Tutors

Marcus Gastreisch (BioSoveIt), David Rinaldo (Schrödinger), Esther Kellenberger (Univ. Strasbourg)

Software

BioSolveIT
- LeadIT (http://www.biosolveit.de/LeadIT/index.html?ct=1)
Schrödinger
- Glide (http://www.schrodinger.com/products/14/5/)
- Maestro (http://www.schrodinger.com/downloadcenter/10/)

Maestro can be downloaded for free for all academic users.

Datasets

In order to be able to compare individual results and prepared benchmarks, we advise you to use the PDB entry 3EML, which you can download from the PDB (http://www.rcsb.org).

Download the dataset
Download LeadIT supplementary files
Download Glide supplementary files

Instructions

LeadIT tutorial
Training videos are available for Glide and Maestro here
Glide tutorial

QSAR

infochimie — 2012-06-07T18:47:10Z

Tutors

Tetko (eADMET), Gilles Marcou (Univ.Strasbourg)

Software

The following software will be used for the tutorials:

OCHEM (http://ochem.eu/)
WEKA (http://www.cs.waikato.ac.nz/ml/weka/)

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_

Organization of the session

During the session both Weka and OChem will be briefly presented. Participants shall be free to explore the software to find their own solutions with the help of the tutors.

You can find short instructions and examples of Weka input files for the A2A problems at the end of this page.

Datasets

Two studies are proposed: (1) the prediction of the affinity of each ligand for A2AR by regression and (2) the binary classification of all ligands into classes of active and inactive compounds. Experimental affinity values are expressed as pKi, pKD, pEC50 or pIC50, but for the sake of simplicity, only the unit pKi will be used later in this document.

Two datasets are provided for QSAR studies: one for regression and the other for classiﬁcation. Structures are provided with 2D coordinates in MDL SDF format.

Dataset for regression:
A2AR ligands and their pKi values were collected in IupharDB, ChEMBL and PubChem BioAssay. If several values were found for a given ligand, the reported value is the median of the collected values if the range of values did not exceed 2 log units.
The dataset contains 766 compounds: 384 in a training set and 383 in a test set.
The affinity value of each compound is stored in the SDF field pKi, in log units. The training set and the test set files are named respectively train.sdf and test.sdf and are located in the Regression folder.
Download the dataset

A2A Regression problem: ISIDA descriptors in Weka (ARFF) format (use this file with the instructions).

ISIDA_A2AR

ISIDA descriptors for the A2A regression problem

Download different types of ISIDA descriptors for regression

A2A Regression problem: MOE2D descriptors in Weka (ARFF) format.

MOE2D_A2AR

MOE2D descriptors for the A2A regression problem

Dataset for classification:
Starting from the regression dataset, a compound was classified as active if pKi>5. Decoys were randomly chosen from PubChem and have no reported affinity for A2A. The number of decoys was set so that the ratio between active and inactive compound is about 15%.
The classiﬁcation dataset contains 4948 compounds (756 actives; 4192 inactives), 2430 in the training set (381 actives; 2049 inactives) and 2441 compounds in the test set (364 actives; 2077 inactives). Random picking in the test set yielded a smaller test set made of 77 compounds (11 actives; 66 inactives) that will also be tested in docking and pharmacophore methods.
Activity is reported in the SDF field Activity: 1 for an active compound and 0 for an inactive compound. The training set and the test set files are named respectively train.sdf and test.sdf. They are located in the Classification folder.
Download the dataset

A2A Classification problem: ISIDA descriptors in Weka (ARFF) format (use this file with the instructions).

ISIDA_A2AC

A2A Classification ISIDA descriptors

A2A Classification problem: MOE2D descriptors in Weka (ARFF) format. Part 1 contains the training and Part 2 contains the test sets.

MOE2D_A2AC-1

MOE2D descriptors for the A2A classification problem -Part 1.

MOE2D_A2AC-2

MOE2D descriptors for the A2A classification problem -Part 2.

Download different types of ISIDA descriptors for classification

Note that the name of the compounds does not necessarily refer to an existing entry into one of the databases from which the datasets were extracted.

Instructions for Weka and input files on A2A

Short description of the software and examples of modelling sessions using Weka on A2A problems:

Short_Instructions_Weka

Short instructions on using Weka for the tutorials.

Files to use with the instructions

A2A Classification problem: ISIDA descriptors in Weka (ARFF) format

ISIDA_A2AC

A2A Classification ISIDA descriptors

A2A Regression problem: ISIDA descriptors in Weka (ARFF) format

ISIDA_A2AR

ISIDA descriptors for the A2A regression problem

Download different types of ISIDA descriptors for regression

Download different types of ISIDA descriptors for classification

A2A Classification problem: MOE2D descriptors in Weka (ARFF) format. Part 1 contains the training and Part 2 contains the test sets.

MOE2D_A2AC-1

MOE2D descriptors for the A2A classification problem -Part 1.

MOE2D_A2AC-2

MOE2D descriptors for the A2A classification problem -Part 2.

A2A Regression problem: MOE2D descriptors in Weka (ARFF) format.

MOE2D_A2AR

MOE2D descriptors for the A2A regression problem

Examples of WEKA modelling

Tutorials

infochimie — 2012-06-07T18:29:47Z

Organization

Three tutorials will be organized for the participants of the Summer School: (i) QSAR, (ii) pharmacophore models and (iii) docking. They will take place in 3 computer classes at the 4th floor of the Faculty of Chemistry building (1, rue B. Pascal). Each class accommodates up to 25 people. So, all participants will be divided into 3 groups each following its schedule:

Group 1: QSAR, pharmacophore+docking 1 (with BiosolveIT and Inte:Ligand tools), pharmacophore+docking 2 (with Schrödinger tools)
Group 2: pharmacophore+docking 1 (with BiosolveIT and Inte:Ligand tools), QSAR, pharmacophore+docking 2 (with Schrödinger tools)
Group 3: pharmacophore+docking 2 (with Schrödinger tools), pharmacophore+docking 1 (with BiosolveIT and Inte:Ligand tools), QSAR.

Three parallel sessions are scheduled:

Session 1: Tuesday 26 June from 14:00 to 16:00;
Session 2: Wednesday 27 June from 14:00 to 16:00,
Session 3: Wednesday 27 June from 16:30 to 18:30,

Thus each participant is supposed to attend all three tutorials. A briefing resuming the tutorial sessions will be organized on Thursday 27 June in the conference hall in the CDE building.
The participants are encouraged to download the data and software tools for the tutorials and to work on the exercises before the school.

Data

The tutorials focus on the type A2A of human adenosine receptor (A2AR). A2AR is a member of purinergic class of G-Protein Coupled Receptors. It is one of the main targets of caffeine, and also of some drugs used for coronary vasodilation (agonist compounds) or for the treatment of Parkinson's disease (antogonist compounds). The three-dimensional structure of A2AR in complex with the antagonist ZM241385 was solved in 2008 (Science. 2008, 322: 1211–1217). Since then, ten other structures of the receptor were solved in different states of activation and in complex with different ligands.

The tutorials aim at predicting the binding of ligands to A2AR (whatever their function, agonist or antagonist) using three different approaches: QSAR, pharmacophore models and docking.

Poster Session

infochimie — 2012-06-07T17:54:53Z

Strasbourg Summer School - Strasbourg, France, 25-29 June 2012

Tuesday 26 June - Poster session *

P1	Elena Mokshina	“Quasi-mixture”-based QSPR study of critical parameters of pure organic compounds
P2	Kamel Mansouri	QSAR STUDY ON READY BIODEGRADABILITY OF CHEMICALS
P3	Nicholas Firth	Plane of Best Fit: A Novel Method to Characterize the Three-Dimensionality of Molecules
P4	Charfedinne Ayed	Exploring subtle molecular interactions involved between aroma compounds and food matrices/mediums using QSPR approach
P5	David Hoksza	Molecular morphing – novel method for chemical space exploration
P6	Satoshi Niijima	Dissecting kinase profiling data to predict activity and understand cross-reactivity of kinase inhibitors
P7	Eugene Muratov	QSARome of GPCRome
P8	Daria Tsareva	Applying Machine Learning to Classification of TRPV1 Antagonists
P9	Andreas Jurik	Combining Ensemble Docking and Consensus Scoring to Elucidate the Binding Mode of Tiagabine Analogs in hGAT-1
P10	Florian Koelling	X-PLORATION SPACE! plif driven parallel screening (PLIDripas) in progress …
P11	Amir Seddik	Common Scaffold Clustering as a Versatile Tool for Prioritizing Docking Poses of Amphetamine Derivatives
P12	Claire Minoletti	Chemoinformatics tools for CYP induction assessment
P13	Matteo Cassotti	Comparison of variable selection methods
P14	Sylvain Lozano	Prediction of the CYP3A4 inhibition potential of new chemicals: a ligand-based approach.
P15	Florent Chevillard	Growing Specific Ligands for β2AR and HH1R from a Common Fragment-Sized Scaffold
P16	J.B. Brown	Virtual screening via kernel methods incoporating charge, chirality, and rigidity
P17	Latifeh Navidpour	Flavonoids as Human a-amylase inhibitors: QSAR analysis
P18	Azadeh Ebrahim-Habibi	Non carbohydrate-based small molecule inhibitors of mammalian alpha-amylase: toward rational design of novel compounds
P19	Robert Körner	In silico pKa prediction
P20	Véronique Lancelot	Homology modeling of nicotinic acetylcholine receptors
P21	Leslie REGAD	Characterization of inhibitor binding sites of different sub-families of Serine Proteases
P22	Sabrina Wollenhaupt	Comparison of fingerprint- and MCS-based (INSARA) Structure-Activity-Relationship networks
P23	Yuye HE	Development of Novel Methods for Evaluating Prediction Models
P24	Akira Shiraishi	Chemical genomic analysis of cross-reactivity in endogenous GPCR-mediated pathways
P25	Salwa Soliman	Ligand- and structure-based modeling of human Aryl Sulfotransferase 1A1 activity
P26	M. Stepniewski	role of PEG in drug delivery STUDIED BY molecular dynamics simulation
P27	Yuezhou Zhang	Structure-based screening and discovery of inhibitors of the human macrodomain protein 1
P28	Guillaume Poezevara	Emerging Patterns as Structural Alerts for Computational Toxicology
P29	Ahmed Abdelaziz	Using Toxcast™ HTS assays as a biologically derived descriptors in QSAR
P30	Jamil Al-Asri	Pharmacophore creation for the discovery of new alpha-amylase inhibitors
P31	Fabienne Dulin	New insights into the mode of action of AChE inhibitors pesticides in honeybees: molecular modeling studies
P32	Jade Fogha	Analysis of MCL-1 and BH3-only proteins. A model for drugs discovery
P33	Alban Lepailleur	Towards new ligands with pro-cognitive properties. Virtual screening and polypharmacology.
P34	Véronique Hamon	Inhibition of Protein-Protein Interfaces: New tools to filter PPI chemical space through Support Vector Machine approaches
P35	David A. Demeter	Improving the Impact of Compound Acquisition: Comparison of Biology-based Models with Physiochemical Rule-based Models for Hit Generation
P36	Jeremy DESAPHY	Protein/ligand interactions : From a simple representation to 3D alignment using graph matching algorithm
P37	Jamel Meslamani	Profiler: A hybrid pipeline for in-silico biological profiling of small molecules
P38	Jamel Meslamani	Utility Assessment of Protein−Ligand-Based Pharmacophores in Computational Ligand Profiling
P39	Crina-Maria Ionescu	Quantum Mechanical Evaluation of Charge Transfer inside Proteins
P40	Ondřej Skřehota	QSPR Designer – Automate the QSAR modeling process and employ own descriptors
P41	Stanislav Geidl	Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges
P42	Ctibor Škuta	Data mining of HTS data of steroid compounds and discovery of relations between their chemical structure and biological activity
P43	Natalia Kireeva	Design of "Optimal" Descriptor Spaces for Data Visualization and Modeling
P44	Fiorella Ruggiu	ISIDA Property-Labelled Fragment Descriptors
P45	Héléna A. Gaspar	Generative Topographic Mapping: a universal tool for chemical space visualization, activity prediction and databases comparison
P46	Christophe Muller	Prediction of oxidations sites for human CYP3A4 substrates using Condensed Graph of Reactions.
P47	Tetiana Khristova	Computer-aided design of new inhibitors of platelets aggregation: RGD-peptidomimetics
P48	Laurent Hoffer	Sampling, Docking & Fragment-based Drug Design
P49	Aurélie De Luca	Predictive models for acido-basic properties of molecules and reactions using new reactivity descriptors
P50	Fanny Bonachera	Using self-organizing maps to accelerate similarity search
P51	Ioana Oprisiu	Modeling of non-additive mixtures properties using On-line CHEmical database and Modeling Environment (OCHEM)
P52	Véronique Lancelot	Master « In silico Drug Design », Association and Website

* Only the name of the first author is mentioned in the list

Accomodation

infochimie — 2011-09-26T02:07:28Z

Strasbourg Summer School - Strasbourg, France, 25-29 June 2012

Accomodation - Nearby hotels

Hotel Esplanade Strasbourg ✯✯
1,boulevard Leblois
67000 STRASBOURG

Tél. +33 3 88 61 38 95
Fax. +33 3 88 60 66 87

Room rates from 47 to 55 €
Breakfast : 8€

Website : http://www.hotel-esplanade.fr/
Email : info@hotel-esplanade.fr

Hôtel aux trois roses ✯✯
7, rue de Zurich
67000 STRASBOURG

Tél. +33 3 88 36 56 95
Fax. +33 3 88 35 06 14

Room rates from 53 to 91€
Breakfast : 8,50€
Sauna (only for clients): 5 (one person) – 8 (two persons)

Website : http://www.hotel3roses-strasbourg.com/
Email : info@hotel3roses-strasbourg.com

Hôtel de L'Ill ✯✯
8 Rue Des Bateliers
67000 STRASBOURG

Tél. +33 3 88 36 20 01
Fax. +33 3 88 35 30 03

Room rates from 65 to 102€
Breakfast : 7,50€

Website : http://www.hotel-ill.fr/
Email : info@hotel-ill.com

Hôtel Suisse ✯✯
2/4 rue de la Râpe
67000 STRASBOURG

Tél. +33 3 88 35 22 11
Fax. +33 3 88 25 74 23

Room rates from 68 to 133€
Breakfast : 9,50€

Website : www.hotel-suisse.com
Email : info@hotel-suisse.com

Hôtel des Arts ✯✯
10, place du Marché aux cochons de Lait
67000 STRASBOURG

Tél. +33 3 88 37 98 37
Fax. +33 3 88 37 98 97

Room rates from 68 to 80€
Breakfast : 6,50€

Website : www.hotel-arts.com
Email : info@hotel-arts.com

Hôtel Gutenberg ✯✯
31, rue des serruriers
67000 STRASBOURG

Tél. +33 3 88 32 17 15
Fax. +33 3 88 75 76 67

Room rates from 85 to 165€
Breakfast : 10€

Website : http://www.hotel-gutenberg.com/
Email : info@hotel-gutenberg.com

Hôtel de la Cathédrale ✯✯✯
12,13 place de la cathédrale
67000 STRASBOURG

Tél. +33 3 88 22 12 12
Fax. +33 3 88 37 98 97

Room rates from 90 to 200€
Breakfast : 6,50€

Website : www.hotel-cathedrale.fr
Email : booking@hotel-cathedrale.fr

Hôtel Diana Dauphine ✯✯✯
30 Rue de la 1ère Armée
67000 STRASBOURG

Tél. +33 3 88 36 26 61
Fax. +33 3 88 35 50 07

Room rates from 69 to 195€
Breakfast : 11€

Website : www.hotel-diana-dauphine.com
Email : info@hotel-diana-dauphine.com

Hôtel Beaucour ✯✯✯
5, rue des Bouchers / 5, rue des Boeufs
67000 STRASBOURG

Tél. +33 3 88 76 72 00
Fax. +33 3 88 76 72 60

Room rates from 78 to 205€
Breakfast : 13,50€

Website : http://www.hotel-beaucour.com/
Email : info@hotel-beaucour.com

Hôtel des Princes ✯✯✯
33, rue Geiler
67000 STRASBOURG

Tél. +33 3 88 61 55 19
Fax. +33 3 88 41 10 92

Room rates from 110 to 135€
Breakfast : 13€
Bed and breakfast available for group of 20 people minimum : 45 to 75 € in double room.

Website : http://www.hotel-princes.com/
Email : princes@strasbourg.com

Hôtel Cardinal de Rohan ✯✯✯
17, rue du Maroquin
67000 STRASBOURG

Tél. +33 3 88 32 85 11
Fax. +33 3 88 75 65 37

Room rates from 75 to 155€
Breakfast : 13€

Website : http://www.hotel-rohan.com/
Email : info@hotel-rohan.com

Hôtel Cour du Corbeau ✯✯✯✯
6-8 rue des Couples
67000 STRASBOURG

Tél. +33 3 90 00 26 26
Fax. +33 3 90 00 26 36

Room rates starting from 135€
Breakfast : 13,50€

Website : http://www.cour-corbeau.com/
Email : H7575@accor.com

Please note that this is a non exhaustive list. You can find more hotels on fr.hotels.com or booking.com

Program

infochimie — 2011-09-19T05:48:57Z

Strasbourg Summer School - Strasbourg, France, 25-29 June 2012

Monday 25 June

14:00-18:00	Registration - Doctoral College main hall
15:00-18:00	Pre-conference "software session"
18:00-18:10	Opening
18:10-19:10	Peter Willett (Sheffield) - Opening lecture	Chemoinformatics: the first half-century	pdf
19:15-21:00	Welcome Party

Tuesday 26 June - session 1

09:00-09:40	Jurgen Bajorath (Univ. Bonn, Germany)	Chemoinformatics Meets Medicinal Chemistry: Designing and Navigating Activity Landscapes	pdf
09:40-10:20	Sorel Muresan (Astra Zeneca, Sweden)	Patent cheminformatics: Identification of key compounds in patents	pdf
10:20-10:40	*Coffee Break*
10:40-11:20	Peter Ertl (Novartis, Basel, Switzerland)	Navigation in Chemistry Space towards Biological Activity	pdf
11:20-12:00	Val Gillet (Univ. Sheffield, UK)	In-silico approaches to toxicity prediction	pdf
12:00-14:00	*Lunch*
14:00-16:00	Tutorials
16:30-19:00	Poster session

Wednesday 27 June - session 2

09:00-09:40	David Ritchie (Univ. Nancy, France)	Protein docking and virtual screening using polar Fourier correlations	pdf
09:40-10:20	Christoph Sotriffer (Univ. Wuerzburg, Germany)	Scoring functions for protein-ligand docking: new routes towards old goals	pdf
10:20-10:40	*Coffee Break*
10:40-11:20	Hanoch Senderowitz (Bar-Ilan Univ., Israel)	Focusing Conformational Ensembles on Bioactive-Like Conformers	pdf
11:20-12:00	Gerhard Wolber (Free Univ. Berlin, Germany)	Accuracy matters: A closer look at 3D pharmacophore perception and virtual screening
12:00-14:00	*Lunch*
14:00-16:00	Tutorials
16:00-16:30	Coffee Break
16:30-18:00	Tutorials

Thursday 28 June - session 3

09:00-09:40	Robert Glen (Univ. Cambridge, UK)	Designing, synthesising and testing peptide probes of receptor function: Investigating the Apelin GPCR	pptx
09:40-10:20	Thierry Langer (Prestwick Chemical, Strasbourg, France)	Chemoinformatics-Supported Medicinal Chemistry: Expectations, Pitfalls, and Success Stories	pdf
10:20-10:40	*Coffee Break*
10:40-11:20	Gisbert Schneider (ETH, Zurich, Switzerland)	Designing molecules 'de novo'
11:20-12:00	Artem Cherkasov (Univ. British Columbia, Vancouver, Canada)	Cheminformatics-driven identification of inhibitors for protein-protein interactions	pdf
12:00-14:00	*Lunch*
14:00-16:00	Tutorials : Briefing in the conference hall
16:30-19:00	*Cultural Program*
19:00	Conference dinner at "Ancienne Douane"

Friday 29 June - session 4

09:00-09:40	Xavier Morelli (CNRS Marseille, France)	An Example of Challenging Chemical Space: Protein-Protein Interfaces	pdf
09:40-10:20	Alex Tropsha (Univ. North Carolina, Chapel-Hill, USA)	Experiment-Assisted Computational Drug Discovery using Cheminformatics Approaches	pdf
10:20-10:40	*Coffee Break*
10:40-11:20	Olivier Taboureau (Technical University of Denmark, Denmark)	From Chemical to Systems Biology: How Chemoinformatics can contribute?	pdf
11:20-12:00	Wendy Warr (Wendy Warr & Associates, UK )	Adapt and Survive: the Changing Face of R&D in the Pharmaceutical Industry and its Impact on Cheminformatics	pdf
Closing

Conference Fee

infochimie — 2011-09-12T14:16:59Z

Strasbourg Summer School - Strasbourg, France, 25-29 June 2012

Early registration (before April 15th 2012) :

Industrial	800 €
Academics	500 €
Students	300 €
Accompagnying person	150 €

After April 15th 2012 :

Industrial	850 €
Academics	550 €
Students	350 €
Accompagnying person	200 €

(Fee includes : lunches on June 26, 27, 28, coffee breaks, welcome party, conference dinner, cultural program.)

Location

infochimie — 2011-09-07T11:29:25Z

Strasbourg Summer School - Strasbourg, France, 25-29 June 2012

Welcome to Strasbourg !

Its magnificent Cathedral, its fine food, "La Petite France" the typical quarter beloved of the tourists, not to mention the Grande-Ile, a UNESCO World Heritage site, have given it its reputation as a city anchored in History and Tradition.

Located in the "Esplanade" district, the Central Campus is near Strasbourg historical center. Also called "Esplanade Campus", it is the main University of Strasbourg Campus, regrouping University headquarters and many University of Strasbourg elements (including the "Tour de Chimie"), as well as the main part of the research units. Several independant high schools are present as well (Ecole Supérieure des Arts Décoratifs de Strasbourg and INSA).

Conference Location

The conference will be held in two locations :

The CDE (European College) : 46 boulevard de la Victoire 67000 STRASBOURG (Website)
The "Tour de Chimie" (Chemistry Tower - Faculty of Chemistry) : 1 rue blaise pascal 67000 STRASBOURG (Website)

These two buildings, both located in the Central Campus, are close to one another with an easy access :

1 : Tour de Chimie (Chemistry Tower)
2 : CDE (European College)
3 : Restaurant Universitaire de l'Esplanade (Esplanade campus canteen)

How to get to the Central Campus - Esplanade?

From the airport

Take the shuttle until the terminus "Baggersee",
Take the tram line E, direction "Baggersee" and get off at the stop "Observatoire".

From the train station

Take the tram line C, direction "Neuhof / Rodolphe Reuss" and get off at the stop "Observatoire".

From a bus or tram station

The Central Campus is situated near the tram station "Observatoire" on lines C and E.
Please check the map of the city network Here

By car

Coming from the North, on highway A4:

Follow the directions to "Kehl".
After the tunnel, stay on the left and follow the direction "Esplanade".
Turn left and cross the Pont du Danube.
Go straight on Rue d'Ankara and on Rue de Leicester.
Turn left to rue de Londres.
At traffic light, go straight across avenue du General de Gaulle and the tram rails.
Enter the Place d'Athènes, which is in front of the Campus Central.

Coming from the South, on highway A35:

Take the Exit "Place de l'Etoile-Neudorf", stay on the left lane.
Follow the direction to Kehl.
Continue as described above (directions for coming from the North on highway A4).

The map of the central campus is available here.

The European College can be found on number 40, and the Chemistry Tower on number 39.

Cultural Program
The departure of the cultural program will be held at the "Palais Rohan" pier :

Agrandir le plan

The Restaurant "l'Ancienne douane" is located near the pier, at 6 rue de la Douane, 67000 Strasbourg.

Agrandir le plan

Photos by Jonathan Martz and Geneviève Engel.

LABORATOIRE DE CHÉMOINFORMATIQUE

Pharmacophore

Docking

QSAR

Tutorials

Poster Session

Accomodation

Sponsors

Program

Conference Fee

Location