Presentations

2006

In Silico Technology for Identification of Potentially Toxic Compounds in Drug Discovery
P. Japertas, A. Sazonovas, R. Didziapetris, and A. Petrauskas
Poster presented at:
AAPS Annual Meeting and Exposition, San Antonio, USA - October-November 2006
EuroTox 2006/6 CTDC Congress, Dubrovnik, Croatia - September 2006
pdf version (372KB)

Exploring Oral Bioavailability and Drug Plasma Concentration Using Physicochemical Parameters
A. Petrauskas, P. Japertas, and R. Didziapetris
Poster presented at:
AAPS Annual Meeting and Exposition, San Antonio, USA - October-November 2006
American Chemical Society: 231st National Meeting, Atlanta, USA - March 2006
pdf version (438KB)

Modeling Plasma Protein Binding and Volume of Distribution
A. Petrauskas, P. Japertas, R. Didziapetris, and K. Lanevskij
Poster presented at:
AAPS Annual Meeting and Exposition, San Antonio, USA - October-November 2006
American Chemical Society: 231st National Meeting, Atlanta, USA - March 2006
American Chemical Society: 232nd National Meeting & Exposition, San Fransisco, USA - September 2006
pdf version (369KB)

Fragmental QSAR Model for Prediction AMES Toxicity
P. Japertas, A. Petrauskas, R. Didziapetris, K. Lanevskij, A. Sazonovas
Poster presented at:
American Chemical Society: 232nd National Meeting & Exposition, San Fransisco, USA - September 2006
EuroTox 2006/6 CTDC Congress, Dubrovnik, Croatia - September 2006
pdf version (379KB)

Critical Compilation of Pgp Transport and Inhibition Data. Development of Predictive Algorithms
R. Didziapetris, P. Japertas and A. Petrauskas
Poster presented at:
American Chemical Society: 231st National Meeting, Atlanta, USA - March 2006
pdf version (585KB)

2005

Oral Bioavailability (%F) Prediction Based on Expert Knowledge and Informatics
Powerpoint presentation by Pharma Algorithms' President Dr. Alanas Petrauskas
Presented at:
American Chemical Society: 229th National meeting, San Diego, USA - March 2005
ppt (2,820KB)
zip (2,050KB)

2004

In Silico Tools to Predict Drug Absorption
Powerpoint presentation by Pharma Algorithms' President Dr. Alanas Petrauskas
Presented at:
Predicting Human Drug Absorption: In Vitro-In Vivo Correlations, Brussels, Belgium - October 2004
ppt (2,340KB)
zip (1,320KB)

AutoBuilder - Automated Development of New Algorithms. Facilitated Solution of Practical Problems - Awarded Best Poster in the "Best Communication" category at LogP 2004
P. Japertas, R. Didziapetris and A. Petrauskas
Poster presented at:
Euro-QSAR 2004, Istanbul, Turkey - September 2004
Intelligent Drug Discovery and Development, Philadelphia, USA - May 2004
LogP 2004, Zurich, Switzerland - March 2004
pdf version (354KB)

Oral Bioavailability Prediction Based on Expert Knowledge and Informatics
P. Japertas, D. Zmuidinavicius and R. Didziapetris
Poster presented at:
Euro-QSAR 2004, Istanbul, Turkey - September 2004
Intelligent Drug Discovery and Development, Philadelphia, USA - May 2004
LogP 2004, Zurich, Switzerland - March 2004
pdf version (593KB)

Critical Compilation of Pgp Transport and Inhibition Data. Development of Predictive Algorithms
R. Didziapetris, P. Japertas and A. Petrauskas
Poster presented at:
Euro-QSAR 2004, Istanbul, Turkey - September 2004
Intelligent Drug Discovery and Development, Philadelphia, USA - May 2004
LogP 2004, Zurich, Switzerland - March 2004
pdf version (472KB)

Delivering Predictors from Proprietary Data - Examples of DMSO and Aqueous Solubility
Powerpoint presentation by Paulius Jurgutis
Presented at:
Strategies for Improving Solubility, Philadelphia, USA - June 2004
ppt (4,930KB)
zip (4,320KB)

Aqueous Solubility Predictions - Problems and Solutions
A. Sazonovas, P. Japertas
Poster presented at:
Intelligent Drug Discovery and Development, Philadelphia, USA - May 2004
LogP 2004, Zurich, Switzerland - March 2004
pdf version (495KB)

DMSO Solubility Prediction
P. Japertas, H. Verheij and A. Petrauskas
Poster presented at:
Intelligent Drug Discovery and Development, Philadelphia, USA - May 2004
LogP 2004, Zurich, Switzerland - March 2004
pdf version (408KB)

Critical Compilation of Pgp Transport and Inhibition Data. Development of Predictive Algorithms
Powerpoint presentation by Pharma Algorithms' President Dr. Alanas Petrauskas
Presented at:
LogP 2004, Zurich, Switzerland - March 2004
ppt (2,740KB)

Automated Development of Predictive Algorithms Using Different Types of Experimental Data
Powerpoint presentation by Pharma Algorithms' President Dr. Alanas Petrauskas
Presented at:
Determining Factors for Measuring Permeability, Philadelphia, USA - January 2004
ppt (2,220KB)
zip (1,630KB)

2003

Application of in silico Technology to Screen out Potentially Toxic Compounds Using Expert and QSAR Models
Powerpoint presentation by Dr. Derek Reynolds
Presented at:
TOX '03. Toxicology for the Pharma Industry, London, UK - December 2003
ppt (1,135KB)
zip (830KB)

Critical Compilation of Pgp Transport and Inhibition Data. Development of Predictive Algorithms
R. Didziapetris, P. Japertas and A. Petrauskas
Poster presented at:
AAPS Annual Meeting and Exposition, Salt Lake City, USA - October 2003
UK QSAR and ChemoInformatics Group Meeting, Macclesfield, UK - October 2003
pdf version (292KB)

Oral Bioavailability Prediction Based on Expert Knowledge and Informatics
P. Japertas, D. Zmuidinavicius and R. Didziapetris
Poster presented at:
UK QSAR and ChemoInformatics Group Meeting, Macclesfield, UK - October 2003
SBS 9th Annual Conference and Exhibition, Portland, USA - September 2003
pdf version (411KB)

DMSO Solubility Prediction
P. Japertas, H. Verheij and A. Petrauskas
Poster presented at:
AAPS Annual Meeting and Exposition, Salt Lake City, USA - October 2003
UK QSAR and ChemoInformatics Group Meeting, Macclesfield, UK - October 2003
SBS 9th Annual Conference and Exhibition, Portland, USA - September 2003
DDT World Congress, Boston, USA - August 2003
pdf version (388KB)

DMSO Solubility Prediction
Powerpoint slides in addition to Dr. Chris Lipinski presentation
Presented during Scientific Session at:
DDT World Congress, Boston, USA - August 2003
ppt (2,327KB)

2002

Aqueous Solubility Prediction for Free Acids, Bases and Zwitterions
A. Sazonovas, R. Didziapetris, P. Japertas and A. Petrauskas
Poster presented at:
AAPS Annual Meeting, Toronto, Canada - November 2002
pdf version (321KB)

Classification Analysis in the Prediction of P-gp Substrate Specificity
Powerpoint presentation by Pharma Algorithms' President and CEO, Dr. Alanas Petrauskas
Presented during workshop entitled "Drug transporters, can they be modelled?" at:
EuroQSAR 2002, Bournemouth, UK - September 2002
ppt (261KB)
zip (207KB)

Fragmental Classification SAR Analysis and Rule-based Filters in Algorithm Builder
P. Japertas, L. Riauba, D. Zmuidinavicius, R. Didziapetris, and A. Petrauskas
Poster presented at:
EuroQSAR 2002, Bournemouth, UK - September 2002
pdf version (108KB)

C-SAR Analysis in Predicting Oral Bioavailability
P. Japertas, L. Riauba, D. Zmuidinavicius, R. Didziapetris, and A. Petrauskas
Poster presented at:
RSC-DMG 2002: New Technologies in Drug Discovery, Edinburgh, Scotland - December 2002
AAPS Annual Meeting, Toronto, Canada - November 2002
EuroQSAR 2002, Bournemouth, UK - September 2002
pdf version (107KB)

C-SAR/QSAR Approach in Predicting Acute Toxicity LD50 (updated version)
D. Zmuidinavicius, L. Steponeniene, R. Didziapetris, P. Japertas and A. Petrauskas
Poster presented at:
AAPS Annual Meeting, Toronto, Canada - November 2002
EuroQSAR 2002, Bournemouth, UK - September 2002
pdf version (130KB)

Classification SAR in the Prediction of P-glycoprotein Substrate Specificity
R. Didziapetris, P. Japertas and A. Petrauskas
Poster presented at:
EuroQSAR 2002, Bournemouth, UK - September 2002
pdf version (172KB)

Classification Analysis (C-SAR) in Predicting Human Intestinal Absorption
Oral presentation (text, slide show) by Pharma Algorithms' CEO, Dr. Alanas Petrauskas.
Presented at:
First International Symposium on Artificial Membrane Permeability, San Francisco, USA - July 2002
ppt (2,092KB)
zip (1,212KB)

Classification SAR in the Prediction of P-glycoprotein Substrate Specificity
R. Didziapetris, D. Zmuidinavicius, P. Japertas, L. Riauba, and A. Petrauskas
Poster presented at:
Drug Discovery Technology, Boston, USA - August 2002
First International Symposium on Artificial Membrane Permeability, San Francisco, USA - July 2002
pdf version (208KB)

Fragmental Methods in Accelerated Lead Optimization. Applications of Algorithm Builder
P. Japertas, L. Riauba, D. Zmuidinavicius, R. Didziapetris, and A. Petrauskas
Poster presented at:
Drug Discovery Technology, Boston, USA - August 2002
First International Symposium on Artificial Membrane Permeability, San Francisco, USA - July 2002
Sixth International Conference on Chemical Structures, Noordwijkerhout, The Netherlands - June 2002
pdf version (48KB)

C-SAR/QSAR Approach in Predicting Acute Toxicity LD50
D. Zmuidinavicius, L. Steponeniene, R. Didziapetris, P. Japertas, L. Riauba and A. Petrauskas
Poster presented at:
Drug Discovery Technology, Boston, USA - August 2002
First International Symposium on Artificial Membrane Permeability, San Francisco, USA - July 2002
Sixth International Conference on Chemical Structures, Noordwijkerhout, The Netherlands - June 2002
QSAR2002, Ottawa, Canada - May 2002
pdf version (145KB)

AAB/HIA: Rapid Identification of Poor Leads
D. Zmuidinavicius, R. Didziapetris, P. Japertas, L. Riauba and A. Petrauskas
Poster presented at:
Drug Discovery Technology, Boston, USA - August 2002
First International Symposium on Artificial Membrane Permeability, San Francisco, USA - July 2002
Sixth International Conference on Chemical Structures, Noordwijkerhout, The Netherlands - June 2002
Drug Discovery Technology, Stuttgart, Germany - April 2002
pdf version (103KB)

2001

Analysis of ADME/Tox Data by AAB
R. Didziapetris, D. Zmuidinavicius, P. Japertas, L. Riauba, A. Petrauskas
SCI meeting London, UK - December 2001
pdf version (223KB)

2000

Fragmental QSAR Method for HTS: LogKi of HIV-1 Pr
A. Petrauskas, R. Didziapetris
EuroQSAR 2000, Düsseldorf, Germany - August 2000

Calculations of H-bonding by Hammett-Hansch Method
A. Petrauskas, P. Japertas
EuroQSAR 2000, Düsseldorf, Germany - August 2000

Correlation of LogKi for HIV-1 and Viral Replication - 1st Poster Award
A. Petrauskas, R. Didziapetris
LOGP 2000, Lausanne, Switzerland - March 2000