Search results
- 1.0555982 - ÚMG 2023 RIV US eng J - Journal Article
Příhoda, D. - Maamary, J. - Waight, A. - Juan, V. - Fayadat-Dilman, L. - Svozil, Daniel - Bitton, D.
BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning.
MAbs. Roč. 14, č. 1 (2022), č. článku e2020203. ISSN 1942-0862. E-ISSN 1942-0870
R&D Projects: GA MŠMT(CZ) LM2018130
Institutional support: RVO:68378050
Keywords : Antibody humanization * humanness * human-likeness * immunogenicity * deimmunization * immune repertoires * machine learning * deep learning
OECD category: Biochemical research methods
Impact factor: 5.3, year: 2022
Method of publishing: Open access
https://www.tandfonline.com/doi/full/10.1080/19420862.2021.2020203
Permanent Link: http://hdl.handle.net/11104/0330851 - 2.0555872 - FGÚ 2023 RIV GB eng J - Journal Article
Štefková-Mazochová, K. - Danda, H. - Dehaen, W. - Jurásek, B. - Šíchová, K. - Pinterová-Leca, N. - Mazoch, V. - Hrčka Krausová, Barbora - Kysilov, Bohdan - Smejkalová, Tereza - Vyklický ml., Ladislav - Kohout, M. - Hájková, K. - Svozil, Daniel - Horsley, R. R. - Kuchař, M. - Páleníček, T.
Pharmacokinetic, pharmacodynamic, and behavioural studies of deschloroketamine in Wistar rats.
British Journal of Pharmacology. Roč. 179, č. 1 (2022), s. 65-83. ISSN 0007-1188. E-ISSN 1476-5381
R&D Projects: GA ČR(CZ) GA20-17945S; GA MZd(CZ) EF16_025/0007444; GA MŠMT(CZ) LM2018130
Research Infrastructure: CZ-OPENSCREEN III - 90130
Institutional support: RVO:67985823 ; RVO:68378050
Keywords : deschloroketamine * enantiomers * locomotion * NMDA receptor * pharmacokinetics * pharmacokinetics
OECD category: Pharmacology and pharmacy
Impact factor: 7.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1111/bph.15680
Permanent Link: http://hdl.handle.net/11104/0330327 - 3.0555488 - ÚMG 2022 RIV GB eng J - Journal Article
Šícho, M. - Liu, X. - Svozil, Daniel - van Westen, G.J.P.
GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.
Journal of Cheminformatics. Roč. 13, č. 1 (2021), č. článku 73. ISSN 1758-2946. E-ISSN 1758-2946
R&D Projects: GA MŠMT(CZ) LM2018130
Research Infrastructure: CZ-OPENSCREEN III - 90130
Institutional support: RVO:68378050
Keywords : Graphical user interface * De novo drug design * Molecule generation * Deep learning * Web application
OECD category: Biochemistry and molecular biology
Impact factor: 8.489, year: 2021
Method of publishing: Open access
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00550-y
Permanent Link: http://hdl.handle.net/11104/0329996 - 4.0554542 - ÚMG 2022 RIV GB eng J - Journal Article
Čmelo, I. - Voršilák, Milan - Svozil, Daniel
Profiling and analysis of chemical compounds using pointwise mutual information.
Journal of Cheminformatics. Roč. 13, č. 1 (2021), č. článku 3. ISSN 1758-2946. E-ISSN 1758-2946
R&D Projects: GA MŠMT(CZ) LM2018130
Research Infrastructure: CZ-OPENSCREEN III - 90130
Institutional support: RVO:68378050
Keywords : Hashed fingerprint * Structural key * Information theory * Pointwise mutual information * Synthetic accessibility
OECD category: Biochemistry and molecular biology
Impact factor: 8.489, year: 2021
Method of publishing: Open access
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00483-y
Permanent Link: http://hdl.handle.net/11104/0329252 - 5.0539814 - ÚMG 2021 RIV GB eng J - Journal Article
Škuta, Ctibor - Cortes-Ciriano, I. - Dehaen, W. - Kříž, P. - van Westen, G.J.P. - Tetko, I. V. - Bender, A. - Svozil, Daniel
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping.
Journal of Cheminformatics. Roč. 12, č. 1 (2020), č. článku 39. ISSN 1758-2946. E-ISSN 1758-2946
Institutional support: RVO:68378050
Keywords : Affinity fingerprint * Biological fingerprint * qsar * Similarity searching * Bioactivity modeling * Scaffold hopping
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impact factor: 5.514, year: 2020
Method of publishing: Open access
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00443-6
Permanent Link: http://hdl.handle.net/11104/0317517 - 6.0538137 - ÚMG 2021 RIV GB eng J - Journal Article
Cortes-Ciriano, I. - Škuta, Ctibor - Bender, A. - Svozil, Daniel
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction.
Journal of Cheminformatics. Roč. 12, č. 1 (2020), č. článku 41. ISSN 1758-2946. E-ISSN 1758-2946
R&D Projects: GA MŠMT LM2015063
Institutional support: RVO:68378050
Keywords : qsar * Affinity fingerprints * ChEMBL * Bioactivity modeling * Cytotoxicity * Drug sensitivity prediction * Drug sensitivity
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impact factor: 5.514, year: 2020
Method of publishing: Open access
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00444-5
Permanent Link: http://hdl.handle.net/11104/0315960 - 7.0531356 - ÚMG 2021 RIV GB eng J - Journal Article
Voršilák, Milan - Kolář, Michal - Čmelo, I. - Svozil, Daniel
SYBA: Bayesian estimation of synthetic accessibility of organic compounds.
Journal of Cheminformatics. Roč. 12, č. 1 (2020), č. článku 35. ISSN 1758-2946. E-ISSN 1758-2946
R&D Projects: GA MŠMT(CZ) EF16_019/0000785; GA MŠMT(CZ) LM2018130
Institutional support: RVO:68378050
Keywords : Synthetic accessibility * Bayesian analysis * Bernoulli naive Bayes
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impact factor: 5.514, year: 2020
Method of publishing: Open access
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00439-2
Permanent Link: http://hdl.handle.net/11104/0310029 - 8.0502627 - ÚMG 2019 RIV CZ cze J - Journal Article
Voršilák, Milan - Svozil, Daniel
Odhadování syntetické dostupnosti při počítačovém návrhu léčiv.
[Estimation of Synthetic Accessibility during Computational Drug Design.]
Chemické listy. Roč. 111, č. 11 (2017), s. 760-765. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA MŠMT LO1220
Institutional support: RVO:68378050
Keywords : chemical space, ,,, , * synthetic feasibility * retrosynthetic analysis * molecular complexity * virtual screening * computational drug design
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impact factor: 0.260, year: 2017
Permanent Link: http://hdl.handle.net/11104/0294523 - 9.0502626 - ÚMG 2019 RIV CZ cze J - Journal Article
Škuta, Ctibor - Svozil, Daniel
QSAR – Modelování kvantitativních vztahů mezi strukturou a aktivitou chemických látek.
[QSAR – Modelling of Quantitative Relations between Structure and Activity of Chemical Compounds.]
Chemické listy. Roč. 111, č. 11 (2017), s. 747-753. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA MŠMT LO1220
Institutional support: RVO:68378050
Keywords : QSAR * biological activity modelling * data mining * virtual screening * applicability domain * conformal prediction
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impact factor: 0.260, year: 2017
Permanent Link: http://hdl.handle.net/11104/0294522 - 10.0502625 - ÚMG 2019 RIV CZ cze J - Journal Article
Šícho, M. - Svozil, Daniel
Molekulové dokování jako nástroj pro virtuální návrh léčiv.
[Molecular Docking as a Tool to Virtually Develop Drugs.]
Chemické listy. Roč. 111, č. 11 (2017), s. 754-759. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA MŠMT LO1220
Institutional support: RVO:68378050
Keywords : molecular docking * computer-aided drug design * structure-based drug design * virtual screening
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)
Impact factor: 0.260, year: 2017
Permanent Link: http://hdl.handle.net/11104/0294521