Computing chemistry on the web (2008)
model generation and validation, comparison of web technologies, bioinformatics, chemoinformatics Teaser: The development of on-line software tools is changing the way we traditionally perform our...
Can We Estimate the Accuracy of ADMET Predictions? (2008)
Igor V. Tetko, Pierre Bruneau, Hans-werner Mewes, Douglas C. Rohrer, Gennadiy I. Poda
property-based similarity Teaser: Is there a distinct relationship between the accuracy of prediction and molecular similarity? Can we estimate the accuracy of property prediction for new compounds?...
Tetko, Igor V, Tropsha, Alexander, Zhu, H, Papa, E, Gramatica, P, Öberg, T, ...
No abstract available.
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods (2008)
Tetko, Igor V, Jaroszewicz, I, Platts, J, Kuduk-Jaworska, J
No abstract available.
Igor V. Tetko, Vitaly P. Solov’ev, Alexey V. Antonov, Xiaojun Yao, Jean Pierre Doucet, Botao Fan
property relationships (QSPR) of stability constants logK1 for the 1:1 (M:L) and log�2 for 1:2 complexes of metal cations Ag + and Eu 3+ with diverse sets of organic molecules in water at 298 K and...
(VCC-LAB): NEW INTERNET- COMPUTER APPROACHES TO RESEARCH AND EDUCATION IN CHEMICAL PROBLEMS (2007)
Igor V. Tetko, Vsevolod Yu. Tanchuk, Er Makarenko
Abstract-- Exploiting electronic networks allows preparing special tools by cooperative effort of different departments and institutions. In proposed report we describe the score of our recent...
# 2002 Kluwer Academic Publishers. Printed in the Netherlands. Associative Neural Network (2007)
Abstract. An associative neural network (ASNN) is a combination of an ensemble of the feedforward neural networks and the K-nearest neighbor technique. The introduced network uses correlation between...
Farré-Castany, Maria A., Schwaller, Beat, Gregory, Patrick, Barski, Jaroslaw, Mariethoz, Céline, Eriksson, Jan L., ...
We investigated the role of the two calcium-binding proteins parvalbumin (PV) and calbindin D-28k (CB) in the locomotor activity and motor coordination using null-mutant mice for PV (PV−/−), CB...
Farré-Castany, Maria A., Schwaller, Beat, Gregory, Patrick, Barski, Jaroslaw, Mariethoz, Céline, Eriksson, Jan L., ...
We investigated the role of the two calcium-binding proteins parvalbumin (PV) and calbindin D-28k (CB) in the locomotor activity and motor coordination using null-mutant mice for PV (PV−/−), CB...
766 Combinatorial QSAR Modeling of Chemical Toxicants Tested against (2007)
Tetrahymena Pyriformis, Hao Zhu, Er Tropsha, Denis Fourches, Re Varnek, Ester Papa, ...
Selecting most rigorous quantitative structure-activity relationship (QSAR) approaches is of great importance in the development of robust and predictive models of chemical toxicity. To address this...
Igor V. Tetko, Georg Haberer, Stephen Rudd, Blake Meyers, Hans-Werner Mewes
Scaffold/matrix attachment regions (S/MARs) are essential for structural organization of the chromatin within the nucleus and serve as anchors of chromatin loop domains. A significant fraction of...
A systematic approach to infer biological relevance and biases of gene network structures (2006)
Antonov, Alexey V., Tetko, Igor V., Mewes, Hans W.
The development of high-throughput technologies has generated the need for bioinformatics approaches to assess the biological relevance of gene networks. Although several tools have been proposed for...
Ruepp, Andreas, Doudieu, Octave Noubibou, Van Den Oever, Jos, Brauner, Barbara, Dunger-Kaltenbach, Irmtraud, Fobo, Gisela, ...
MfunGD (http://mips.gsf.de/genre/proj/mfungd/) provides a resource for annotated mouse proteins and their occurrence in protein networks. Manual annotation concentrates on proteins which are found to...
Super paramagnetic clustering of protein sequences (2005)
Tetko, Igor V, Facius, Axel, Ruepp, Andreas, Mewes, Hans-Werner
Abstract Background Detection of sequence homologues represents a challenging task that is important for the discovery of protein families and the reliable application of automatic annotation...
BIOINFORMATICS APPLICATIONS NOTE (2005)
Genome Analysis, Igor V. Tetko, Barbara Brauner, Irmtraud Dunger-kaltenbach, Goar Frishman, Corinna Montrone, ...
doi:10.1093/bioinformatics/bti380 MIPS bacterial genomes functional annotation benchmark dataset
doi:10.1093/nar/gkj074 The Mouse Functional Genome Database (MfunGD): (2005)
Octave Noubibou Doudieu, Barbara Brauner, Irmtraud Dunger-kaltenbach, Gisela Fobo, Goar Frishman, ...
functional annotation of proteins in the light of their cellular context
Igor V Tetko, Axel Facius, Hans-werner Mewes
Background: Detection of sequence homologues represents a challenging task that is important for the discovery of protein families and the reliable application of automatic annotation methods. The...
The identification of the genes that participate at the biological interface of two species remains critical to our understanding of the mechanisms of disease resistance, disease susceptibility and...
Friedel, Caroline C., Jahn, Katharina H. V., Sommer, Selina, Rudd, Stephen, Mewes, Hans W., Tetko, Igor V.
Motivation: Discovery of host and pathogen genes expressed at the plant–pathogen interface often requires the construction of mixed libraries that contain sequences from both genomes. Sequence...
MIPS bacterial genomes functional annotation benchmark dataset (2005)
Tetko, Igor V., Brauner, Barbara, Dunger-Kaltenbach, Irmtraud, Frishman, Goar, Montrone, Corinna, Fobo, Gisela, ...
Motivation: Any development of new methods for automatic functional annotation of proteins according to their sequences requires high-quality data (as benchmark) as well as tedious preparatory work...
Mips bacterial genomes functional annotation benchmark dataset (2005)
Tetko, Igor V., Brauner, Barbara, Dunger-Kaltenbach, Irmtraud, Frishman, Goar, Montrone, Corinna, Fobo, Gisela, ...
Motivation: Any development of new methods for automatic functional annotation of proteins according to their sequences requires high-quality data (as benchmark) as well as tedious preparatory work...
Antonov, Alexey V., Tetko, Igor V., Mader, Michael T., Budczies, Jan, Mewes, Hans W.
Motivation: Microarray data appear particularly useful to investigate mechanisms in cancer biology and represent one of the most powerful tools to uncover the genetic mechanisms causing loss of cell...
Web portal for classification of expression data using maximal margin linear programming (2004)
Antonov, Alexey V., Tetko, Igor V., Prokopenko, Volodymyr V., Kosykh, Denis, Mewes, Hans W.
Summary: The Maximal Margin (MAMA) linear programming classification algorithm has been recently proposed and tested for cancer classification based on expression data. It demonstrated sound...
Friedel, Caroline C., Jahn, Katharina H. V., Sommer, Selina, Rudd, Stephen, Mewes, Hans W., Tetko, Igor V.
Motivation: Discovery of host and pathogen genes expressed at the plant-pathogen interface often requires the construction of mixed libraries that contain sequences from both genomes. Sequence...
A web portal for classification of expression data using maximal margin linear programming (2004)
Antonov, Alexey V., Tetko, Igor V., Prokopenko, Volodymyr V., Kosykh, Denis, Mewes, Hans W.
Summary: The Maximal Margin (MAMA) linear programming classification algorithm has recently been proposed and tested for cancer classification based on expression data. It demonstrated sound...
Antonov, Alexey V., Tetko, Igor V., Mader, Michael T., Budczies, Jan, Mewes, Hans W.
Motivation: Microarray data appear particularly useful to investigate mechanisms in cancer biology and represent one of the most powerful tools to uncover the genetic mechanisms causing loss of cell...
Antonov, Alexey V., Tetko, Igor V., Mader, Michael T., Budczies, Jan, Mewes, Hans W.
Motivation: Microarray data appear particularly useful to investigate mechanisms in cancer biology and represent one of the most powerful tools to uncover the genetic mechanisms causing loss of cell...
Web portal for classification of expression data using maximal margin linear programming (2004)
Antonov, Alexey V., Tetko, Igor V., Prokopenko, Volodymyr V., Kosykh, Denis, Mewes, Hans W.
Summary: The Maximal Margin (MAMA) linear programming classification algorithm has been recently proposed and tested for cancer classification based on expression data. It demonstrated sound...
Friedel, Caroline C., Jahn, Katharina H. V., Sommer, Selina, Rudd, Stephen, Mewes, Hans W., Tetko, Igor V.
Motivation: Discovery of host and pathogen genes expressed at the plant-pathogen interface often requires the construction of mixed libraries that contain sequences from both genomes. Sequence...
Associative neural network (2002)
Igor V. Tetko, Address Igor, V. Tetko
An associative neural network (ASNN) is a combination of an ensemble of the feed-forward neural networks and the K-nearest neighbor technique. The introduced network uses correlation between ensemble...
Igor V. Tetko, Tetyana I. Aksenova, Vladimir V. Volkovich, Tamara N. Kasheva, V. Filipov, William J. Welsh, ...
This article presents a self-organising multilayered iterative algorithm that provides linear and non-linear polynomial regression models thus allowing the user to control the number and the power of...
Spatiotemporal activity patterns of rat cortical neurons predict responses in a conditioned task
Villa, Alessandro E. P., Tetko, Igor V., Hyland, Brian, Najem, Abdellatif
Precise and repeated spike-train timings within and across neurons define spatiotemporal patterns of activity. Although the existence of these patterns in the brain is well established in several...
Super paramagnetic clustering of protein sequences
Tetko, Igor V, Facius, Axel, Ruepp, Andreas, Mewes, Hans-Werner
Éclair—a web service for unravelling species origin of sequences sampled from mixed host interfaces
The identification of the genes that participate at the biological interface of two species remains critical to our understanding of the mechanisms of disease resistance, disease susceptibility and...
A systematic approach to infer biological relevance and biases of gene network structures
Antonov, Alexey V., Tetko, Igor V., Mewes, Hans W.
The development of high-throughput technologies has generated the need for bioinformatics approaches to assess the biological relevance of gene networks. Although several tools have been proposed for...
Ruepp, Andreas, Doudieu, Octave Noubibou, Van Den Oever, Jos, Brauner, Barbara, Dunger-Kaltenbach, Irmtraud, Fobo, Gisela, ...
MfunGD () provides a resource for annotated mouse proteins and their occurrence in protein networks. Manual annotation concentrates on proteins which are found to interact physically with other...
Tetko, Igor V, Haberer, Georg, Rudd, Stephen, Meyers, Blake, Mewes, Hans-Werner, Mayer, Klaus F. X
Scaffold/matrix attachment regions (S/MARs) are essential for structural organization of the chromatin within the nucleus and serve as anchors of chromatin loop domains. A significant fraction of...
Tetko, Igor V, Haberer, Georg, Rudd, Stephen, Meyers, Blake C, Mewes, Hans-Werner, Mayer, Klaus F. X
Spatiotemporal activity patterns of rat cortical neurons predict responses in a conditioned task
Villa, Alessandro E. P., Tetko, Igor V., Hyland, Brian, Najem, Abdellatif
Precise and repeated spike-train timings within and across neurons define spatiotemporal patterns of activity. Although the existence of these patterns in the brain is well established in several...
Super paramagnetic clustering of protein sequences
Tetko, Igor V, Facius, Axel, Ruepp, Andreas, Mewes, Hans-Werner
Éclair—a web service for unravelling species origin of sequences sampled from mixed host interfaces
The identification of the genes that participate at the biological interface of two species remains critical to our understanding of the mechanisms of disease resistance, disease susceptibility and...
A systematic approach to infer biological relevance and biases of gene network structures
Antonov, Alexey V., Tetko, Igor V., Mewes, Hans W.
The development of high-throughput technologies has generated the need for bioinformatics approaches to assess the biological relevance of gene networks. Although several tools have been proposed for...
Ruepp, Andreas, Doudieu, Octave Noubibou, Van Den Oever, Jos, Brauner, Barbara, Dunger-Kaltenbach, Irmtraud, Fobo, Gisela, ...
MfunGD () provides a resource for annotated mouse proteins and their occurrence in protein networks. Manual annotation concentrates on proteins which are found to interact physically with other...
Tetko, Igor V, Haberer, Georg, Rudd, Stephen, Meyers, Blake, Mewes, Hans-Werner, Mayer, Klaus F. X
Scaffold/matrix attachment regions (S/MARs) are essential for structural organization of the chromatin within the nucleus and serve as anchors of chromatin loop domains. A significant fraction of...