Recent advancements in deep learning and generative models have significantly expanded the applications of virtual screening for drug-like compounds. Here, we introduce a multitarget transformer model, PCMol, that leverages the latent protein embeddings derived from AlphaFold2 as a means of conditioning a de novo generative model on different targets. Incorporating rich protein representations allows the model to capture their structural relationships, enabling the chemical space interpolation of active compounds and target-side generalization to new proteins based on embedding similarities. In this work, we benchmark against other existing target-conditioned transformer models to illustrate the validity of using AlphaFold protein representations over raw amino acid sequences. We show that low-dimensional projections of these protein embeddings cluster appropriately based on target families and that model performance declines when these representations are intentionally corrupted. We also show that the PCMol model generates diverse, potentially active molecules for a wide array of proteins, including those with sparse ligand bioactivity data. The generated compounds display higher similarity known active ligands of held-out targets and have comparable molecular docking scores while maintaining novelty. Additionally, we demonstrate the important role of data augmentation in bolstering the performance of generative models in low-data regimes. Software package and AlphaFold protein embeddings are freely available at https://github.com/CDDLeiden/PCMol.

• MeSH
• konformace proteinů MeSH
• ligandy MeSH
• molekulární modely * MeSH
• proteiny * chemie   metabolismus   MeSH
• racionální návrh léčiv * MeSH
• Publikační typ
• časopisecké články MeSH

Objectives: The objective of the evaluation was to study and determine the impact of eight weeks of aerobic training (AT) on liver enzymes and changes in hematological profile in children with leukemia. Methods: This is a semi-experimental and applied study. Statistical samples include 24 children aged 7 to 10 years that referred to hospital and were divided randomly into two control (n=12) and experimental (n=12) groups. Eight-week AT with 40 to 70 percent of heart rate reserve, three sessions per week, no exercise training program was observed in the controls during the study. We measure Liver enzymes such as Aspartate aminotransferase (AST) and alanine aminotransferase (ALT), Hemoglobin (Hb), White Blood Cells (WBC), platelets (PLT), and bilirubin. Data analysis using a paired t-test and analysis of covariance was performed with software SPSS version 20. Results: The results showed that moderate-intensity AT has a significant effect on hemoglobin and liver enzyme levels and a significant increase in Hb (p<0.05) and significant reduction the ALT and AST (p<0.05) whereas there was no significant influence on WBC, ALT, and bilirubin (p>0.05). Conclusion: AT may accelerate the oxygen supply and reduce liver damage caused by medications in children diagnosed with leukemia without having corrupting effect on PLT, bilirubin, and safety factors.

Wavelet transform (WT) is a commonly used method for noise suppression and feature extraction from biomedical images. The selection of WT system settings significantly affects the efficiency of denoising procedure. This comparative study analyzed the efficacy of the proposed WT system on real 292 ultrasound images from several areas of interest. The study investigates the performance of the system for different scaling functions of two basic wavelet bases, Daubechies and Symlets, and their efficiency on images artificially corrupted by three kinds of noise. To evaluate our extensive analysis, we used objective metrics, namely structural similarity index (SSIM), correlation coefficient, mean squared error (MSE), peak signal-to-noise ratio (PSNR) and universal image quality index (Q-index). Moreover, this study includes clinical insights on selected filtration outcomes provided by clinical experts. The results show that the efficiency of the filtration strongly depends on the specific wavelet system setting, type of ultrasound data, and the noise present. The findings presented may provide a useful guideline for researchers, software developers, and clinical professionals to obtain high quality images.

• MeSH
• algoritmy * MeSH
• poměr signál - šum MeSH
• ultrasonografie MeSH
• vlnková analýza * MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH

Wavelet transformation is one of the most frequent procedures for data denoising, smoothing, decomposition, features extraction, and further related tasks. In order to perform such tasks, we need to select appropriate wavelet settings, including particular wavelet, decomposition level and other parameters, which form the wavelet transformation outputs. Selection of such parameters is a challenging area due to absence of versatile recommendation tools for suitable wavelet settings. In this paper, we propose a versatile recommendation system for prediction of suitable wavelet selection for data smoothing. The proposed system is aimed to generate spatial response matrix for selected wavelets and the decomposition levels. Such response enables the mapping of selected evaluation parameters, determining the efficacy of wavelet settings. The proposed system also enables tracking the dynamical noise influence in the context of Wavelet efficacy by using volumetric response. We provide testing on computed tomography (CT) and magnetic resonance (MR) image data and EMG signals mostly of musculoskeletal system to objectivise system usability for clinical data processing. The experimental testing is done by using evaluation parameters such is MSE (Mean Squared Error), ED (Euclidean distance) and Corr (Correlation index). We also provide the statistical analysis of the results based on Mann-Whitney test, which points out on statistically significant differences for individual Wavelets for the data corrupted with Salt and Pepper and Gaussian noise.

• MeSH
• algoritmy * MeSH
• elektromyografie * MeSH
• lidé MeSH
• magnetická rezonanční tomografie * MeSH
• normální rozdělení MeSH
• počítačová rentgenová tomografie * MeSH
• vlnková analýza * MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• časopisecké články MeSH

This article presents a steganographic method StegoNN based on neural networks. The method is able to identify a photomontage from presented signed images. Unlike other academic approaches using neural networks primarily as classifiers, the StegoNN method uses the characteristics of neural networks to create suitable attributes which are then necessary for subsequent detection of modified photographs. This also results in a fact that if an image is signed by this technique, the detection of modifications does not need any external data (database of non-modified originals) and the quality of the signature in various parts of the image also serves to identify modified (corrupted) parts of the image. The experimental study was performed on photographs from CoMoFoD Database and its results were compared with other approaches using this database based on standard metrics. The performed study showed the ability of the StegoNN method to detect corrupted parts of an image and to mark places which have been most probably image-manipulated. The usage of this method is suitable for reportage photography, but in general, for all cases where verification (provability) of authenticity and veracity of the presented image are required.

• MeSH
• databáze faktografické normy   MeSH
• fotografování metody   normy   MeSH
• lidé MeSH
• neuronové sítě * MeSH
• reprodukovatelnost výsledků MeSH
• rozpoznávání automatizované metody   normy   MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• časopisecké články MeSH

BACKGROUND AND OBJECTIVE: Functional magnetic resonance imaging (fMRI) studies of the human brain are appearing in increasing numbers, providing interesting information about this complex system. Unique information about healthy and diseased brains is inferred using many types of experiments and analyses. In order to obtain reliable information, it is necessary to conduct consistent experiments with large samples of subjects and to involve statistical methods to confirm or reject any tested hypotheses. Group analysis is performed for all voxels within a group mask, i.e. a common space where all of the involved subjects contribute information. To our knowledge, a user-friendly interface with the ability to visualize subject-specific details in a common analysis space did not yet exist. The purpose of our work is to develop and present such interface. METHODS: Several pitfalls have to be avoided while preparing fMRI data for group analysis. One such pitfall is spurious non-detection, caused by inferring conclusions in the volume of a group mask that has been corrupted due to a preprocessing failure. We describe a MATLAB toolbox, called the mask_explorer, designed for prevention of this pitfall. RESULTS: The mask_explorer uses a graphical user interface, enables a user-friendly exploration of subject masks and is freely available. It is able to compute subject masks from raw data and create lists of subjects with potentially problematic data. It runs under MATLAB with the widely used SPM toolbox. Moreover, we present several practical examples where the mask_explorer is usefully applied. CONCLUSIONS: The mask_explorer is designed to quickly control the quality of the group fMRI analysis volume and to identify specific failures related to preprocessing steps and acquisition. It helps researchers detect subjects with potentially problematic data and consequently enables inspection of the data.

• MeSH
• lidé MeSH
• magnetická rezonanční tomografie metody   MeSH
• mozek fyziologie   MeSH
• počítačová grafika MeSH
• uživatelské rozhraní počítače MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• časopisecké články MeSH

Morální usuzování a jednání autoři v této práci vnímají jako součást integrity osobnosti. Vymezují filosofická a psychologická pojetí integrity a předkládají rozmanité způsoby testování integrity. Významnou částí práce je kritická polemika věnující se některým vybraným nedostatkům tohoto přístupu, shrnutí závěrů studií integrity, prediktivní validity v této oblasti. Dále autoři seznamují s výsledky studií vztahující morální usuzování k morálnímu jednání a komentují některé domácí pokusy týkající se této problematiky. Vzhledem k zastaralosti jediného českého testu Jarmily Kotáskové, se doporučují zaměřit na tvorbu zcela nové metody. Domnívají se, že měření úrovně morálního usuzování a jednání může být v některých oblastech psychologie přínosnou složkou diagnostiky, které rozšiřuje tradiční oblasti zkoumání, jako jsou osobnostní proměnné, kognitivní funkce či sociální opora. Pro rozhodování na úrovni jednotlivce (např. v rámci výběrového řízení) by však bylo příliš troufalé tvrdit, že psycholog má v rukou validní data, která predikují morální usuzování a chování v konkrétních případech (např. v oblastech s rizikem korupce).

Moral reasoning and acting are in this paper considered as a part of integrity. The authors define philosophical and psychological concepts of integrity and present diverse ways of integrity testing. An important part of the work is critical polemic dedicated to some selected shortcomings of this approach, the overall results of integrity studies, predictive validity in this area. Furthermore, the authors acquainted with the results of studies related to moral reasoning and moral conduct commenting on some Czech experiments relating to this issue. Due to obsolescence only one local test created by Czech psychologist Jarmila Kotásková, it is recommended to focus on the creation of entirely new methods. They believe that measuring levels of moral reasoning and action may be in some areas of psychology beneficial component that extends the traditional areas of inquiry such as personality variables, cognitive function and social support. For decision-making at the individual level (e.g. in the selection process), it would be too presumptuous to say that the psychologist has valid data to predict moral reasoning and behavior in specific cases, like the risk of corruption.

• Klíčová slova
• morální jednání,
• MeSH
• filozofie * MeSH
• lidé MeSH
• morálka MeSH
• morální závazky MeSH
• osobnost MeSH
• psychologické testy normy   MeSH
• rozhodování MeSH
• sociální psychologie MeSH
• vývoj morálky * MeSH
• životní smysluplnost * MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• práce podpořená grantem MeSH
• přehledy MeSH

• MeSH
• farmaceutická etika MeSH
• farmaceutický průmysl MeSH
• kriminologie MeSH
• nežádoucí účinky léčiv mortalita   MeSH
• společnosti farmaceutické organizace a řízení   zákonodárství a právo   MeSH
• Publikační typ
• monografie MeSH

• Konspekt
• Farmacie. Farmakologie
• NLK Obory
• farmacie a farmakologie

Obyvatelé České republiky jsou každý den vystavováni různým situacím, ve kterých může být ohrožena jejich bezpečnost, zdraví, život nebo jejich majetek. Tyto situace musí být odpovídajícím způsobem řešeny nejen na úrovni obce nebo kraje, ale i na úrovni státu. Tato práce se zabývá bezpečnostním výzkumem v České republice, jeho definicí a zaměřením vycházejícím z dokumentů vydávaných vládou České republiky a odborníky, kteří se zajímají o toto téma. Přibližuje způsob analýzy a predikce bezpečnostních hrozeb na našem území a uvádí samotné hrozby, včetně jejich vysvětlení. Dále pak připomíná pojmy jako např. sekuritologie a obranná politika České republiky po roce 1989. Závěrem pak přibližuje několik konkrétních případů bezpečnostních hrozeb pro utvoření představy, a to zejména obchod s lidmi, korupční situace a hrozbu nedostatku vody. Finalizace článku se odehrává v době, kdy Českou republiku zasáhly téměř na celém území státu rozsáhlé povodně. Zkušenosti získané analýzou dat ukážou, jak realisticky byl zaměřen Bezpečnostní výzkum pro potřeby státu na období let 2010 až 2015 (BV II/1-VZ). Při jeho tvorbě se vycházelo z potřeb nových poznatků, postupů a metod jejich šíření a zejména jejich využití v bezpečnostní praxi při zajišťování významných úkolů spojených s vnitřní bezpečností státu a jeho obyvatel. Cíl programu byl stanoven na základě výzkumných potřeb jednotlivých rezortů a ostatních státních institucí, které v rámci svěřené působnosti plní úkoly v oblasti vnitřní bezpečnosti a ochrany obyvatelstva České republiky. Program také reflektuje návrh novely zákona o podpoře výzkumu a vývoje a byl zpracován jako program výzkumu a vývoje realizovaný veřejnou zakázkou.

Citizens of the Czech Republic are daily exposed to various situations in which their safety, health, life or property may be jeopardized. These situations must be adequately addressed not only at the level of municipalities and regions, but also at the state level. This work deals with the security research in the Czech Republic, its definition and focus, based on documents issued by the Government of the Czech Republic and professionals with an interest in the subject. It presents the way of analyzing and predicting security threats to our country and mentions the threats themselves, including their explanation. Furthermore, it mentions concepts such as securitology and defence policy of the Czech Republic after 1989. At the end, it clarifies several specific cases of security threats in order to get the picture, especially human trafficking, corruption situation and the threat of water shortage. Finalization of the article is happening at a time when almost the entire expanse of the Czech Republic was affected by extensive flooding. The experience gained by analyzing data show how realistic was the focus of security research for the State for the period 2010–2015 (BV II/1-VZ). Its elaboration was based on the needs of the new knowledge, practices and methods of distribution and in particular their use in practice in ensuring the security of important tasks related to the internal security of the state and its people. The objective of the program was determined on the basis of the research needs of individual ministries and other state institutions that fulfill the tasks in the area of internal security and protection of the population in the Czech Republic within the scope of their entrusted authority. The program also reflects an amendment to the promotion of research and development and has worked as a research and development program implemented by public tender.

• MeSH
• bezpečnost * normy   zákonodárství a právo   MeSH
• civilní obrana MeSH
• hodnocení rizik MeSH
• hromadné neštěstí prevence a kontrola   MeSH
• katastrofy prevence a kontrola   MeSH
• lidé MeSH
• obchod s lidmi prevence a kontrola   MeSH
• podvod prevence a kontrola   MeSH
• terorismus prevence a kontrola   MeSH
• vládní programy * MeSH
• vytváření politiky * MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• práce podpořená grantem MeSH