Daniel Svozil - researchr alias

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Viewing Publication 1 - 23 from 23

2021

Profiling and analysis of chemical compounds using pointwise mutual informationIvan Cmelo, Milan Vorsilák, Daniel Svozil. jcheminf, 13(1):3, 2021. [doi]

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformaticsMartin Sícho, Xuhan Liu, Daniel Svozil, Gerard J. P. van Westen. jcheminf, 13(1):73, 2021. [doi]

2020

QSAR-derived affinity fingerprints (part 2): modeling performance for potency predictionIsidro Cortés-Ciriano, Ctibor Skuta, Andreas Bender, Daniel Svozil. jcheminf, 12(1):41, 2020. [doi]

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hoppingCtibor Skuta, Isidro Cortes-Ciriano, Wim Dehaen, Pavel Kríz, Gerard J. P. van Westen, Igor V. Tetko, Andreas Bender, Daniel Svozil. jcheminf, 12(1):39, 2020. [doi]

NERDD: a web portal providing access to in silico tools for drug discoveryConrad Stork, Gerd Embruch, Martin Sícho, Christina de Bruyn Kops, Ya Chen, Daniel Svozil, Johannes Kirchmair. bioinformatics, 36(4):1291-1292, 2020. [doi]

SYBA: Bayesian estimation of synthetic accessibility of organic compoundsMilan Vorsilák, Michal Kolár, Ivan Cmelo, Daniel Svozil. jcheminf, 12(1):35, 2020. [doi]

2019

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic EnzymesMartin Sícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Giulio Vistoli, Daniel Svozil, Johannes Kirchmair. jcisd, 59(8):3400-3412, 2019. [doi]

2018

Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability"Martin Sicho, Milan Vorsilák, Daniel Svozil. jcheminf, 10(1), 2018. [doi]

2017

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 RegioselectivityMartin Sícho, Christina de Bruyn Kops, Conrad Stork, Daniel Svozil, Johannes Kirchmair. jcisd, 57(8):1832-1846, August 2017. [doi]

Nonpher: computational method for design of hard-to-synthesize structuresMilan Vorsilák, Daniel Svozil. jcheminf, 9(1), 2017. [doi]

2015

MultiSETTER: web server for multiple RNA structure comparisonPetr Cech, David Hoksza, Daniel Svozil. bmcbi, 16:253, 2015. [doi]

Multiple 3D RNA Structure Superposition Using Neighbor JoiningDavid Hoksza, Daniel Svozil. tcbb, 12(3):520-530, 2015. [doi]

Activity-driven exploration of chemical space with morphingMartin Sicho, Daniel Svozil, David Hoksza. bibm 2015: 1024-1031 [doi]

2014

Molpher: a software framework for systematic chemical space explorationDavid Hoksza, Petr Skoda, Milan Vorsilák, Daniel Svozil. jcheminf, 6(1):1-13, 2014. [doi]

InCHlib - interactive cluster heatmap for web applicationsCtibor Skuta, Petr Bartunek, Daniel Svozil. jcheminf, 6(1):44, 2014. [doi]

2013

Automatic workflow for the classification of local DNA conformationsPetr Cech, Jaromir Kukal, Jirí Cerný, Bohdan Schneider, Daniel Svozil. bmcbi, 14:205, 2013. [doi]

MultiSETTER - Multiple RNA Structure Similarity AlgorithmDavid Hoksza, Peter Szépe, Daniel Svozil. wob 2013: 59-70 [doi]

2012

SETTER: web server for RNA structure comparisonPetr Cech, Daniel Svozil, David Hoksza. nar, 40(Web-Server-Issue):42-48, 2012. [doi]

Efficient RNA pairwise structure comparison by SETTER methodDavid Hoksza, Daniel Svozil. bioinformatics, 28(14):1858-1864, 2012. [doi]

2011

SETTER - RNA SEcondary sTructure-based TERtiary Structure Similarity AlgorithmDavid Hoksza, Daniel Svozil. isbra 2011: 37-48 [doi]

Exploration of Chemical Space by Molecular MorphingDavid Hoksza, Daniel Svozil. bibe 2011: 201-208 [doi]

1997

Neural Network Prediction of the Solvatochromic Polarity/Polarizability Parameter Pi:::H:::::2::[S_EL2;quad] Daniel Svozil, Jirí G. K. Sevvík, Vladimir Kvasnicka. jcisd, 37(2):338-342, 1997. [doi]

1995

Neural Network Prediction of Carbon-13 NMR Chemical Shifts of AlkanesDaniel Svozil, Jiri Pospichal, Vladimir Kvasnicka. jcisd, 35(5):924-928, 1995.

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