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

Workshop on Chemical Information, Lausanne, CH, Sep 2018
In silico generation of novel, drug-like chemical matter using the LSTM deep neural network

Strasbourg Summer School in Chemoinformatics, Strasbourg, FR, Jun 2018
Machine learning applied to natural products - Lessons from Nature inspiring the design of new drugs [invited lecture]

11th International Conference on Chemical Structurese, Noordwijkerhout, NL, May 2018
[member of the scientific advisory board and session chair]

Chemical Computing Group, UGM Europe, Basel, May 2018
In silico generation of novel, drug-like chemical matter using the LSTM deep neural network

1st MuTaLig COST Action Training School, Computational Approaches to Polypharmacology, Wien, Feb, 2017
Navigation in Chemical Space toward Biological Activity

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