Peter Ertl - Conferences I have attended and my selected conference presentations

Workshop on Chemical Information, Lausanne, CH, Sep 2016
Encyclopedia of functional groups

7th Joint Shefield Conference on Chemoinformatics, Sheffield, UK, July 2016
[session chair]

Molecular Informatics Open-Source Software (MIOSS), HInxton, UK, May 2016
[conference co-organizer and session chair]

Workshop on Chemical Information, Lausanne, CH, Sep 2015
Prediction of natural product-likeness with RDKit

RDKit UGM, Zurich, CH, Sep 2015
Calculation of natural product-likeness with RDKit

10th European Workshop in Drug Design, Siena, IT, May 2015
Navigation in Chemical Space towards Biological Activity [invited lecture]

MipTec, Basel, CH, Sep 2014
Visualization of chemical universe for medicinal chemists [invited keynote lecture]

Workshop on Chemical Information, Lausanne, CH, Sep 2014
In silico identification of bioisosteric substituents, linkers and scaffolds for medicinal chemists [lecture]

20th EuroQSAR, St. Petersburg, RU, Sep 2014
Navigation in Chemical Space Towards Biological Activity [invited keynote lecture]

10th International Conference on Chemical Structures and 10th German Conference on Cheminformatics, Noordwijkerhout, NL, Jun 2014
[member of the scientific advisory board and session chair]

9th German Conference on Chemoinformatics, Fulda, DE, Nov 2013
Visualization of Chemical Space for Medicinal Chemists [invited keynote lecture]

Computational Aspects of High-Throughput Screening planning and analysis, Heidelberg, DE, Oct 2013
Navigation in Chemical Space towards Biological Activity [invited lecture]

Workshop on Chemical Information, Lausanne, CH, Aug 2013
Natural ordering of scaffolds and its use for visualization of large molecular collections [lecture]

6th Joint Sheffield Conference on Chemoinformatics Sheffield, UK, Jul 2013
[session chair]

Workshop on Biological Relevant Molecular Diversity, Paris, FR, Apr 2013
Navigation in Chemical Space towards Biological Activity [invited lecture]

Industrie Modeller Treffen, Hamburg, DE, Sep 2012
Intelligent automatic bioisosteric design, oder: Wie man den "Cresset's Design a Molecule" Wettbewerb gewinnt [lecture]

Workshop on Chemical Information, Lausanne, CH, Sep 2012
IADE - Intelligent Automatic Bioisoteric Design [lecture]

3rd Strasbourg Summer School on Chemoinformatics, Strasbourg, FR, Jun 2012
Navigation in Chemical Space towards Biological Activity [invited lecture]

Cresset European User Group Meeting, Cambridge, UK, Jun 2012
Intelligent Automatic Bioisoteric Design (or How to Win Cresset's Design a Molecule Competition!) [lecture]

Schrodinger European User Group Meeting, Copenhagen, DK, Oct 2011

Workshop on Chemical Information, Lausanne, CH, Jul 2011
Estimation of synthetic accessibility of drug-like molecules [lecture]

9th International Conference on Chemical Structures, Noordwijkerhout, NL, Jun 2011
[member of scientific advisory board and session chair]

Molecular Informatics Open Source Software Workshop, Hinxton, UK, May 2011
[session chair and discussion leader]

Worshop on Open Chemistry Databases, Hinxton, UK, Dec 2010
Navigation in Chemistry Space [invited lecture]

18th EuroQSAR, Rhodos, GR, Sep 2010

5th Joint Sheffield Conference on Chemoinformatics, Sheffield, UK, Jul 2010
Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data [lecture given by Th. Varin]
Thibault Varin, Gubler Hanspeter, Christian Parker, Zhang Ji-Hu, Ertl Peter, Schuffenhauer Ansgar

2nd CHEBI User Group Workshop, Hinxton, UK, Jun 2010
Cheminformatics Analysis of Natural Products [invited lecture]

Drugs from Nature Targeting Inflammation, Innsbruck, AT, Apr 2010
Cheminformatics Analysis of Natural Products - Lessons from Nature Inspiring the Design of New Drugs [invited lecture]

MipTec, Basel, CH, Oct 2009
In Silico Identification of Bioisosteric Functional Groups [invited lecture]

Model(l)ing'09, Erlangen, DE, Sep 2009
Estimation of synthetic accessibility score of drug-like molecules [invited lecture]

45th RICT, Drug Discovery and Selection, Orleans, FR, Jul 2009
Navigation in Chemistry Space towards Biological Activity [invited lecture]

4rd German Conference on Chemoinformatics, Goslar, DE, Nov 2008

Strasbourg Summer School on Chemoinformatics, Obernai, FR, Jun 2008
Cheminformatics and its Role in the Modern Drug Discovery Process [lecture]

8th International Conference on Chemical Structures, Noordwijkerhout, NL, Jun 2008
Cheminformatics Analysis of Natural Products. Lessons from Nature Inspiring the Design of New Drugs [lecture]

3rd German Conference on Chemoinformatics, Goslar, DE, Nov 2007
Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries [lecture]
Peter Ertl, S Roggo and A Schuffenhauer
BIOS: Similarity-based design of natural product derived compound collections [poster]
S Wetzel, S Renner, A Noeren-Mueller, A Schuffenhauer, P Ertl and H Waldmann

4th Annual ACD PhysChem Symposium, Obernai, FR, Oct 2007
Potential and Limitations of Current Approaches for Physicochemical Parameters Prediction [lecture]

Workshop on Chemical Information, Lausanne, CH, Sep 2007
Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries [lecture]

4th Joint Sheffield Conference on Chemoinformatics, Sheffield, UK, Jun 2007
BioChemIsTree: Software-assisted Scaffold Tree Analysis of Large Compound Collections [poster]
Stefan Wetzel, Karsten Klein, Ansgar Schuffenhauer, Peter Ertl, Steffen Renner, Petra Mutzel and Herbert Waldmann
Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors [poster]
Stephen Jelfs, Peter Ertl and Paul Selzer
Analysis of Biologically Relevant Chemical Space using the Scaffold Tree - Towards Automated Strategies for Ligand Design and Scaffold Hopping [poster]
Steffen Renner, Stefan Wetzel, Ansgar Schuffenhauer, Peter Ertl, Tudor Oprea and Herbert Waldmann

New Approaches in Drug Design & Discovery: Merging Chemical & Biological Space, Schloss Rauischholzhausen, DE, Mar 2007

2nd German Conference on Chemoinformatics, Goslar, DE, Nov 2006
Charting Biologically Relevant Chemical Space: A Structural Classification of Bioactive Compounds [poster]
Application of Self Organizing Neural Networks in Virtual Screening and Diversity Selection [poster]

UK-QSAR and Cheminformatics Group Meeting, Horsham, UK, Oct 2006
Quest for the Rings - In Silico Exploration of the Ring Universe to Identify Novel Bioactive Heteroaromatic Scaffolds [lecture]

Workshop on Chemical Information, Lausanne, CH, Jun 2006
Quest for the Rings - In Silico Exploration of Ring Universe to Identify Novel Bioactive Heteroaromatic Scaffolds [lecture]

1st German Conference on Chemoinformatics, Goslar, DE, Nov 2005
The Novartis In Silico ToxCheck - a Web-based Alerting System for Toxicological Hazards [poster]
Charting Biologically Relevant Chemical Space: Structural Classification of Natural Products [poster]

7th International Conference on Chemical Structures, Noordwijkerhout, NL, Jun 2005
Quest for the Rings - A Cheminformatics Analysis to Identify Novel Bioactive Heterocyclic Systems [lecture]
see photo from the presentation

PharmSciFair, Nice, FR, Jun 2005
Prediction of Molecular Physicochemical Properties [lecture]

Predictive ADME Conference, San Diego, USA, Jan 2005
Web-based Cheminformatics and Property Prediction Tools at Novartis [lecture]

EuroQSAR, Istanbul, Turkey, Sep 2004
Cheminformatics Analysis of Natural Products. What Can We Learn for the Design of New Drugs [poster]

Chemoinformatics 2004, Sheffield, UK, Apr 2004
Web-based Cheminformatics Tools at Novartis [poster]

Meeting of the German Chem. Soc., Muenchen, DE, Oct 2003
Organic Substituents from the Cheminformatics Point of View [lecture]

Computational Methods in Toxicology and Pharmacology (CMTPI-2003), Thessaloniki, GR, Sep 2003
Web-based cheminformatics tools supporting drug design and development at Novartis [lecture]

Workshop on Chemical Information, Lausanne, CH, Jun 2003
Web-based cheminformatics at Novartis [lecture]

Computational Approaches to ADMET, Oxford, UK, Apr 2003
In silico identification of efflux substrates by using substructure analysis and physicochemical properties [poster]

6th International Conference on Chemical Structures, Noordwijkerhout, NL, Jun 2002
A Look at Organic Substituents from the Cheminformatics Point of View [lecture]

EuroQSAR, Bournemouth, UK, Sep 2002
Web-based System for Automatic Identification of Bioisosteric Substituents and Linkers [poster]

UK QSAR and ChemoInformatics Group Autumn Meeting, Horsham, UK, Oct 2001
Enhancement of hit rate in high throughput screening by using fragment-based substructure analysis [lecture]

Computational Tools for Lead Discovery, Sheffield, UK, Apr 2001
Web-based System for Identification of Bioisosteric Functional Groups and Design of Bioisosteric Analogs [poster]

Computation Prediction of ADME / Tox, Tokyo, JP, Mar 2001
Calculation of Molecular Properties Related to Drug Transport [lecture]

EuroMUG - Daylight User Meeting, Cambridge, UK, Sep 2000
Fast Calculation of Molecular Polar Surface Area Directly from SMILES String [lecture]

EuroQSAR, Duesseldorf, DE, Aug 2000
Calculation of Molecular Polar Surface Area as a Sum of Fragment-based Contributions and Its Application to the Prediction of Drug Transport Properties [poster]

5th International Conference on Chemical Structures, Noordwijkerhout, NL, Jun 1999
A Large Database of Organic Substituents with Calculated Properties (and what can be done with it) [poster]

EuroMUG'98 - Daylight User Meeting, Cambridge, UK, Oct 1998

ChemInt'98 - Chemistry and the Internet, Irvine, USA, Sep 1998
Molecular Modelling through the World Wide Web [lecture]

12th European Symposium on QSAR, Copenhagen, DK, Aug 1998
WWW-based Calculation of Substituent Parameters for QSAR Studies [poster]

12. CIC-Workshop in Maennedorf bei Zuerich, CH, Nov 1997
Simple quantum-chemical parameters as an alternative to the Hammett sigma constants in QSAR studies [lecture]

WATOC Model(l)ing'97, Erlangen, DE, Sep 1997
Molecular Modelling through the World Wide Web [poster]

QSAR Gordon Research Conference, Tilton, US, Aug 1997
Simple Quantum-chemical Parameters as an Alternative to Hammett Sigma Constants [poster]

EuroMUG'96 Daylight User Meeting, Basel, CH, Dec 1996
Smiling Java
Bernhard Rohde and Peter Ertl

11. CIC Workshop, Paderborn, DE, Nov 1996
WWW-based Chemical Information System [poster]

Molecular Interactions, 15th International Conference of the Molecular Graphics and Modelling Society, York, UK, Apr 1996
Molecule Structure Input on the Web [poster]

1st European Conference on Computational Chemistry, Nancy, FR, May 1994