Neural Network Prediction of Carbon-13 NMR Chemical Shifts of Alkanes. - Daniel Svozil; Jiri Pospichal; Vladimir Kvasnicka (J. Chem. Inf. Comput. Sci., 1995)

Neural Network Prediction of the Solvatochromic Polarity/Polarizability Parameter PiH2[S_EL2;quad] . - Daniel Svozil; Jirí G. K. Sevvík; Vladimir Kvasnicka (J. Chem. Inf. Comput. Sci., 1997)

Exploration of Chemical Space by Molecular Morphing. - David Hoksza; Daniel Svozil (BIBE, 2011)

SETTER - RNA SEcondary sTructure-based TERtiary Structure Similarity Algorithm. - David Hoksza; Daniel Svozil (ISBRA, 2011)

Efficient RNA pairwise structure comparison by SETTER method. - David Hoksza; Daniel Svozil (Bioinform., 2012)

SETTER: web server for RNA structure comparison. - Petr Cech; Daniel Svozil; David Hoksza (Nucleic Acids Res., 2012)

MultiSETTER - Multiple RNA Structure Similarity Algorithm. - David Hoksza; Peter Szépe; Daniel Svozil (BSB, 2013)

Automatic workflow for the classification of local DNA conformations. - Petr Cech; Jaromír Kukal; Jirí Cerný; Bohdan Schneider; Daniel Svozil (BMC Bioinform., 2013)

Molpher: a software framework for systematic chemical space exploration. - David Hoksza; Petr Skoda 001; Milan Vorsilák; Daniel Svozil (J. Cheminformatics, 2014)

InCHlib - interactive cluster heatmap for web applications. - Ctibor Skuta; Petr Bartunek; Daniel Svozil (J. Cheminformatics, 2014)

Activity-driven exploration of chemical space with morphing. - Martin Sícho; Daniel Svozil; David Hoksza (BIBM, 2015)

MultiSETTER: web server for multiple RNA structure comparison. - Petr Cech; David Hoksza; Daniel Svozil (BMC Bioinform., 2015)

Multiple 3D RNA Structure Superposition Using Neighbor Joining. - David Hoksza; Daniel Svozil (IEEE ACM Trans. Comput. Biol. Bioinform., 2015)

Nonpher: computational method for design of hard-to-synthesize structures. - Milan Vorsilák; Daniel Svozil (J. Cheminformatics, 2017)

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity. - Martin Sícho; Christina de Bruyn Kops; Conrad Stork; Daniel Svozil; Johannes Kirchmair (J. Chem. Inf. Model., 2017)

Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability". - Martin Sícho; Milan Vorsilák; Daniel Svozil (J. Cheminformatics, 2018)

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. - Martin Sícho; Conrad Stork; Angelica Mazzolari; Christina de Bruyn Kops; Alessandro Pedretti; Bernard Testa; Giulio Vistoli; Daniel Svozil; Johannes Kirchmair (J. Chem. Inf. Model., 2019)

NERDD: a web portal providing access to in silico tools for drug discovery. - Conrad Stork; Gerd Embruch; Martin Sícho; Christina de Bruyn Kops; Ya Chen 002; Daniel Svozil; Johannes Kirchmair (Bioinform., 2020)

QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction. - Isidro Cortés-Ciriano; Ctibor Skuta; Andreas Bender 002; Daniel Svozil (J. Cheminformatics, 2020)

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping. - Ctibor Skuta; Isidro Cortes-Ciriano; Wim Dehaen; Pavel Kríz; Gerard J. P. van Westen; Igor V. Tetko; Andreas Bender 002; Daniel Svozil (J. Cheminformatics, 2020)

SYBA: Bayesian estimation of synthetic accessibility of organic compounds. - Milan Vorsilák; Michal Kolár; Ivan Cmelo; Daniel Svozil (J. Cheminformatics, 2020)

Profiling and analysis of chemical compounds using pointwise mutual information. - Ivan Cmelo; Milan Vorsilák; Daniel Svozil (J. Cheminformatics, 2021)

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics. - Martin Sícho; Xuhan Liu; Daniel Svozil; Gerard J. P. van Westen (J. Cheminformatics, 2021)