ChemAxon Presentations and Papers
2008
Download Szabolcs Csepregi, Nóra Máté, Szilárd Doránt, Erika Biró, Tamás Csizmazia, Tim Dudgeon, Ferenc Csizmadia:
Representation, searching and enumeration of Markush structures - from molecules towards patents.
8th International Conference on Chemical Structures (ICCS) · June 1-5, 2008
Download György Pirok, Zsolt Mohácsi, Nóra Máté, József Szegezdi, István Cseh, Attila Szabo, Miklos Vargyas, Szabolcs Csepregi, Ferenc Csizmadia:
Chemical Terms - Functions for Cheminformatics.
8th International Conference on Chemical Structures (ICCS) · June 1-5, 2008
Download Miklós Vargyas, Judit Papp, Ferenc Csizmadia, Szabolcs Csepregi, Ákos Papp, Péter Vadasz:
Maximum Common Substructure Based Hierarchical Clustering.
8th International Conference on Chemical Structures (ICCS) · June 1-5, 2008
Download Szilárd Dóránt, Larry Norder:
What's new for Pipeline Pilot.
2008 SciTegic Pipeline Pilot User Group Meeting, March 5-7, 2008
2007
Download József Szegezdi, Ferenc Csizmadia:
Tautomer generation. pKa based dominance conditions for generating dominant tautomers.
American Chemical Society Fall meeting, Aug 19-23, 2007
Download György Pirok, Nóra Máté, József Szegezdi, Zsolt Mohacsi, Szabolcs Csepregi, István Cseh, Attila Szabo, Miklos Vargyas, Ferenc Csizmadia:
Chemical Terms, a Language for Cheminformatics.
American Chemical Society Spring meeting, March 25-29, 2007
Download Daniel Bonniot, Ferenc Csizmadia:
IUPAC name generation; challenges and evaluation.
American Chemical Society Spring meeting, March 25-29, 2007
Download József Szegezdi, Ferenc Csizmadia:
A method for calculating the pKa values of small and large molecules.
American Chemical Society Spring meeting, March 25-29, 2007
Download Szabolcs Csepregi, Szilárd Dóránt, Nóra Máté, Miklós Vargyas, Péter Kovács, György Pirok, Ferenc Csizmadia:
Structural Search Using ChemAxon Tools.
International Conference on Chemoinformatics, Pune, India, 22 - 24 January, 2007
2006
Download Miklós Vargyas, Judit Papp, Ferenc Csizmadia, Szabolcs Csepregi, Alex Allardyce, Péter Vadasz:
Maximum Common Substructure Based Hierarchical Clustering.
American Chemical Society National Meeting. 11-14 September, 2006.
Download Gábor Imre, Imre Jákli, Adrián Kalászi, Ödön Farkas:
Advanced Automatic Generation of 3D Molecular Structures.
1st European Chemistry Congress, Budapest, Hungary, 27-31 August, 2006.
Download György Pirok, Nóra Máté, István Cseh, Szabó Attila, Szilárd Dóránt, Péter Kovács, Szabolcs Csepregi, Alex Allardyce, Ferenc Csizmadia:
Standardizer - Molecular Cosmetics for Chemoinformatics.
25th Chinese Chemical Society Congress, 11-15, July 2006
Download György Pirok, Nóra Máté, István Cseh, Szabó Attila, Szilárd Dóránt, Péter Kovács, Szabolcs Csepregi, Alex Allardyce, Ferenc Csizmadia:
Standardizer - Molecular Cosmetics for Chemoinformatics.
Workshop Chemoinformatics in Europe: Research and Teaching, May 29-June 1, 2006
Download Péter Kovács, Szilárd Dóránt, Szabolcs Csepregi, Nóra Máté, György Pirok, Ferenc Csizmadia:
JChem Cartridge: Cheminformatics Platform for Oracle.
InfoTechPharma, 13 - 16 March 2006
Download M. Vargyas, J. Papp, A. Allardyce, F. Csizmadia:
MarvinSpace: molecule visualisation application and toolkit.
InfoTechPharma, 13 - 16 March 2006
Download* György Pirok, Nóra Máté, Jenő Varga, József Szegezdi, Miklós Vargyas, Szilárd Dóránt, and Ferenc Csizmadia:
Making "Real" Molecules in Virtual Space
J. Chem. Inf. Model. 2006, 46, 563-568.
2005
Download Miklós Vargyas, Judit Papp, Alex Allardyce, Ferenc Csizmadia:
Web-enabled visualization of chemical structures.
Drug Discovery Technology & Development, August 9-11th, 2005
Download Gabor Imre, Ödön Farkas:
3D structure prediction and conformational analysis.
7th International Conference on Chemical Structures, 5-9 June 2005
Download Szabolcs Csepregi, Szilárd Dóránt, György Pirok, Miklós Vargyas, Péter Kovács, Nóra Máté, Ferenc Csizmadia:
Advanced Structural Search Using ChemAxon Tools.
9th Annual InfoTechPharma® Conference, 15-16 March, 2005.
Download György Pirok, Nóra Máté, Jenő Varga, Miklós Vargyas, Szilárd Dóránt, Ferenc Csizmadia:
Making real molecules in virtual space.
9th Annual InfoTechPharma® Conference, 15-16 March, 2005.
2004
Download Szabolcs Csepregi, Szilárd Dóránt, György Pirok, Miklós Vargyas, Péter Kovács, Nóra Máté, Ferenc Csizmadia:
Advanced Structural Search Using ChemAxon Tools.
Applications of Cheminformatics and Chemical Modelling to Drug Discovery, 8-19 November 2004
Download György Pirok, Nóra Máté, Jenő Varga, Miklós Vargyas, Szilárd Dóránt, Ferenc Csizmadia:
Making real molecules in virtual space.
8th International Electronic Conference on Synthetic Organic Chemistry
Download Miklós Vargyas, Szabolcs Csepregi, Ferenc Csizmadia, Szilárd Dóránt, Nóra Máté, György Pirok, Zsuzsanna Szabó, Jenő Varga:
Screening a Virtual Compound Space
Workshop on Chemical Information, July 2, Lausanne, Switzerland
Download György Pirok, Nóra Máté, Szilárd Dóránt, Miklós Vargyas and Ferenc Csizmadia:
How can generic reactions be specific? Virtual synthesis with “smart” reactions.
227th ACS National Meeting · March 28 - April 1, 2004 · Anaheim, California
Download József Szegezdi and Ferenc Csizmadia:
Prediction of dissociation constant using microconstants
227th ACS National Meeting · March 28 - April 1, 2004 · Anaheim, California
Download József Szegezdi and Ferenc Csizmadia:
Prediction of distribution coefficient using microconstants
227th ACS National Meeting · March 28 - April 1, 2004 · Anaheim, California
Download Miklós Vargyas, Zsuzsanna Szabó, Ferenc Csizmadia, György Pirok, Modest Korff and Mathias Steger:
Combining fingerprints and other descriptors in virtual HTS
227th ACS National Meeting · March 28 - April 1, 2004 · Anaheim, California
Download Szabolcs Csepregi, György Pirok, Miklós Vargyas, Nóra Máté, Mathias Steger, Modest Korff and Ferenc Csizmadia:
JChem AnalogMaker: A software for generating targeted novel synthetically feasible lead molecules
227th ACS National Meeting · March 28 - April 1, 2004 · Anaheim, California
2003
Download György Pirok, Nóra Máté, Szilárd Dóránt, Miklós Vargyas, Szabolcs Csepregi, and Ferenc Csizmadia:
Virtual synthesis with “smart” reactions
eCheminformatics 2003, November 10-15, 2003
Download József Szegezdi and Ferenc Csizmadia:
New method for pKa estimation
eCheminformatics 2003, November 10-15, 2003
Download Miklós Vargyas, Zsuzsanna Szabó, György Pirok, Ferenc Csizmadia, Matthias Steger, and Modest von Korff:
Optimized Virtual Screening
eCheminformatics 2003, November 10-15, 2003
Download Miklós Vargyas, Zsuzsanna Szabó, Steger Matthias, Korff Modest, György Pirok and Ferenc Csizmadia:
Virtual screening using active set dependent optimization of dissimilarity metrics
226th ACS National Meeting, New York, USA, Sept 7-11, 2003.
Download József Szegezdi and Ferenc Csizmadia:
pKa and logD Estimation with Semi-Empirical Methods
Drug Discovery Technology · Boston, USA, August 10-15, 2003
Download György Pirok, Nóra Máté, Miklós Vargyas, Szilárd Dóránt, and Ferenc Csizmadia:
A Novel Approach to Modeling Molecular Transformations and its Various Applications
Drug Discovery Technology, Boston, USA, August 10-15, 2003
Download Miklós Vargyas, Matthias Steger, Modest Korff, György Pirok, and Ferenc Csizmadia:
Virtual Screening Using Fingerprints
Part I. A Hybrid Approach to Pharmacophore Point Perception

Drug Discovery Technology, Boston, USA, August 10-15, 2003
Download Zsuzsanna Szabó, Miklós Vargyas, Modest Korff, Matthias Steger, Ferenc Csizmadia, and György Pirok:
Virtual Screening Using Fingerprints
Part II. Enhanced Search by Optimized Dissimilarity Metrics

Drug Discovery Technology, Boston, USA, August 10-15, 2003
Download Gábor Imre, Gábor Veress, András Volford, Ödön Farkas:
Molecules from the Minkowsky Space: an Approach to Building 3D Molecular Structures
Journal of Molecular Structure (Theochem), 666-667 (2003) 51-59
Download Ödön Farkas and Gábor Imre:
Molecules from the Minkowsky Space
The Role of Chemistry in the Evolution of Molecular Medicine, Szeged, Hungary, June 27-29, 2003
Download László Kovács and József Szegezdi:
New Way of Mono-BOC Protection of Diamines
Advancing Library Design and Organic Synthesis, La Jolla, California, February 24-27, 2003
2001
Download András Borosy, Ferenc Csizmadia, and András Volford:
Structure Based Clustering of NCI's Anti-HIV Library
EuroCombi-1, First Symposium of the European Society of Combinatorial Science, Budapest, July 1-5, 2001
2000
Download* Ferenc Csizmadia:
JChem: Java Applets and Modules Supporting Chemical Database Handling from Web Browsers
Journal of Chemical Information and Computer Sciences, Volume 40, Issue 2 (March 27, 2000), Pages 323-324
1999
Download Péter Csizmadia:
MarvinSketch and MarvinView: Molecule Applets for the World Wide Web
The 3rd International Electronic Conference on Synthetic Organic Chemistry (ECSOC-3)
Download Ferenc Csizmadia and András Volford:
JChem: Screening_a_Virtual_Compound_Space.ppt Searching and Managing Structures using Web Browsers
The 3rd International Electronic Conference on Synthetic Organic Chemistry (ECSOC-3), September 1-30, 1999
Download Ferenc Csizmadia:
Java Applets and Modules Supporting Chemical Database Handling from Web Browsers
The 5th International Conference on Chemical Structures (5th ICCS), Noordwijkerhout, June 6-10, 1999
Download Ferenc Csizmadia and Ferenc Darvas:
The Development of a Web Based System for the Online Shopping of Compounds
The 5th International Conference on Chemical Structures (5th ICCS), Noordwijkerhout, June 6-10, 1999
Download Péter Csizmadia and Ferenc Csizmadia:
A New Format for the Efficient Storage of Molecular Structures
The 5th International Conference on Chemical Structures (5th ICCS), Noordwijkerhout, June 6-10, 1999