Peter Ertl - Selected Conference Presentations
Strasbourg Summer School on Chemoinformatics, Obernai, FR, Jun 2008
Application of Modern Cheminformatics in Pharmaceutical Industry [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., München, 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 Männedorf bei Zürich, 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