Two versions of Effectopedia are available effectopedia.jar and effectopediaT.jar which are otherwise identical but one (Effectopedia.jar) connects to the production and the other (effectopediaT.jar) to the test server. You can use either of the jar files without need of installation on Windows, Mac OS, Linux and other operating systems supporting Java SE 8. You can use the windows setup file available in Windows_Installer folder if you prefer to run Effectopedia as a native windows application. Effectopedia could be also used offline by loading the last official release of the centralized database file available in OfflineDB folder.
***** Effectopedia 0.9.75 (r442) Beta Update Log ***** 17 Jul 2016
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- The first release of Effectopedia allowing building and execution of in-silico models written in R, Matlab or Java. Current implementation allows models to be used for calculation of dose response curves following specific chemical exposure. Soon to follow releases will provide interface to build response response models, transformation functions and ADME models. To execute the models in real time on the local machine additional software requirements need to be met. Alternatively user can request an execution and publish their request allowing the authors or anyone with software requirements met to execute the model and publish the simulation results. Original requester then can load the results along with the feedback from the modeler.
- The modeling interface has two separate layers one dedicated for users and the other for model builders. Model builders can use the in-silico global model interface to define: the short summary of model description which is displayed to the users; mathematical description of the model (including MathML formulas); description of model parameters, their default values and normal ranges; source code of the model along with additional resources needed for its execution. The model also contains a system requirements and metadata information which however does not yet have a visualization / editing interface. Model users can use the in-silico model interface where model predictions can be made for individual substances. The interface has summary of model descriptions (and link to the associated global model) and the list of parameters of the model in form of sliders. The sliders are bound by the normal ranges of values of the parameters and have the default value specified from the model author. Users can modify the value of the parameters and if the required software to execute it is installed to see the results in real time (if the model execution time permits). Otherwise they can submit an execution request with the desired combination of parameters to the model builders along with optional description of the selected combination and read the response of the modeler once the calculation is published.
- New user interface for editing resources has been added as part of the Global in-silico model interface. The new interface has tabs representing different resources which can be added and removed. The resource titles can be edited by double clicking on the tab header.
- As part of the in-silico model substance data new data type has been introduced which represents nominal and measured chemical concentration (optionally in time). This parameter is used as input for all in-silico models.
- R and Matlab models source code consists of at least two files. An initialization file, entirely generated from Effectopedia - which transforms the model parameter and input data and parameters into R lists / Matlab structures and also defines the structure of the output. The second file is represented as Resourse object and contains the source code of the model.
- Java models consist of minimum one file which implements the interface ExecutableModel. This file is compiled once and then executed with the different model parameters and input to provide predictions. Dislike Matlab and R the Java compilation is performed directly in the memory without need of intermediate file. The successful compilation of the classes that import Effectopedia definitions requires effectopedia.jar to be added to the classPath. Automatic detection of the JDK is not completely tested and is known to have problems in some configurations.
- The installation requirements for the different supported languages will be summarized in a separate read me file, once experience is gathered for multiple operating systems and environments. Independent of the operating system R models require local R installation and rJava package installation. Matlab models does require Matalb installation on the local machine. Java models require JDK 1.7 or later to be installed on the local machine.
- Current release also has updated the chemical structure, substance and constituent interfaces allowing users to add multiple substances to a single structure with potentially different compositions. The default substance for all chemicals is automatically generated and contains single constituent (the substance itself) which makes 100% of the composition. When structure name or smiles is changed the modification is propagated to the substance name and first element of the composition (the only one in pure substances, and main ingredient in other substances).
- Object property is the underlying universal data structure which is used to represent experimental data, model parameters, and various other data objects. A new universal editor of object property types (defining the structure of the data) was introduced along with the modeling capabilities where it is used for definition of model parameters. The dialog allows the creation of hierarchical property types.
- The default dose response data structure now contains time similar to time course data structure. This change will allow future implementation of dose-time-response family of curves. The change has been made backward compatible with the older version of the file format.
- Number of replicates has been added to all default dose response data templates as a response from the feedback of the beta testing.
- Effectopedia start screen logo has been updated and now features OECD.
- New fading feature was added to the chart component. It allows all previous data series to fade with specific speed before they are removed from the visible series.
- To facilitate future OSGI integration the modeling framework has been divided into core.modelling package - which contains all interfaces and abstract implementations, and language specific implementations in their executor.language packages. The two main interfaces are ModelExecutor and ExecutableModel. ModelExecutors initialize the execution environment translate and prepare the input data. ExecutableModel interface represent the model which can be executed with different parameters. Both can implement ExecutionProgressUpdater to provide a feedback of the initialization/execution
- Two of the generated AOPs were updated. Aromatase Inhibition AOP now has the OECD project No and status as well as some other information from AOP-Wiki.
- New generated pathway was added "Chronic binding of antagonist to N-methyl-D-aspartate receptors (NMDARs) during brain development induces impairment of learning and memory abilities" it does partially cover the information available in the AOP-Wiki for comparative purposes. This example of sets essentiality of links and key events as well as some other properties (LinkType, pathway status, uids, ...) for the first time in any example.
- Bug: Tootltips rendering for the first time causes major slowdown and freeze of the event swing thread. No fix or workaround is still available.
- BugFix: Chemical user interface did not allow scrolling and had problems representing the content when more substances are added. Current version has enclosing scroll pane and can grow with the size of the content.
- BugFix: Vertical chart axis title did not redraw consistently. Current version also uses optimized routine for 90 degrees rotation.
- BugFix: Existing Method dialog did not allow choosing Method_InSilicoGlobalModel from the list of existing ones. The new object class support has been added. (There is a susspission that the same bug was fixed before but older version of the code did override the fix)
- BugFix: RealSlider was generating exceptions and not rendering the slider when Null ranges or value parameters were provided for initialization. The new release adds default ranges and value.
- BugFix: RModelExecutor now handles the potential problems with loading of jri.dll and no longer closes down the whole Effectopedia application if the library is not successfully linked. R models require rJava package to be installed in R and jri.dll (in Windows) to be available in the R bin directory. R models use the internal console for displaying R messages and output. Error handling is not completely implemented yet.
- BugFix: InSilicoTestUI did not perform the initialization however scrolling to the top of the interface is still not performed due to the delayed load of the JavaFx component.
- BugFix: Default list of description sections of the Link_EffectToEffect was using the default for Structure to Structure link.
- BugFix: The newly introduced Taxonomical Aplicability was not loaded from a data source. The modification already existed in the code but somehow got overwritten.
***** Effectopedia 0.9.721 (r425) Beta Update Log ***** 08 Mar 2016
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- BugFix: The recently renamed Biologcal Taxonomy to Taxonomical Aplicability was not recognised wehn reading from a data source and subsequently not saved or published. The change has been already made but lost in some of the source synchronisations.
***** Effectopedia 0.9.72 (r424) Beta Update Log ***** 07 Mar 2016
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- Datasource merging problems were partially fixed. Any Effectopedia data source (with an exception of centralized database itself and its copies) can be published and its content merged with the centralized database. If the data source is already merged with the centralized database then synchronization analysis has to be performed in order to determine which elements have been added / modified. This analysis has been implemented in the past but require further testing before public release.
- BugFix: Two of the default reference classes describing the list of Global models and the list of associated Studies of a test method were not initiated with default ids. This had multiple implications for internal consistency.
- BugFix: Publishing an external datasource is now possible even in the case no pathway is loaded in the pathway viewer. As in the case of visble pathway the full content of the file is published (not only currently loaded pathway)
- The file format version was updated to 0.9.72 incorporating all the changes and bug fixes.
- BugFix: Multiple changes were made ensure complete cloning of Effectopedia objects
***** Effectopedia 0.9.71 (r422) Beta Update Log ***** 03 Mar 2016
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- The dedicated editors for all visually represented pathway elements (Effects, Links, Tests, Test Response Mappings) and the Pathway editor were updated to reposition to the top when loading a new object. The old version was scrolling down to unpredictable position hiding the title of the element.
- The size of the element editor interfaces was optimized to accommodate the width of the vertical scroll bar if visible. This prevents the appearance of horizontal scroll bar and provides cleaner interface.
- BugFix: The list of available chemical structures was empty after the first appearance of Existing Chemical Dialog. The list is now updated on every loading and contains the full list of available chemical structures.
- BugFix: Adding substance data for newly created test did fail due to uninitialized parenthood of the substances list.
- Merging DataSources was temporary disabled due to one or more unidentified problems making parts the centralized database file unreadable after publishing.
***** Effectopedia 0.9.70 (r420) Beta Update Log ***** 29 Feb 2016
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- First Beta release of Effectopedia. Effectopedia beta releases will be used to identify and remove problems related with the recently introduced and existing features. Special focus for this first beta release will be the handling (addition, removal, editing, storing and loading) of quantitative data:
- Dose response curves for individual tested chemical substance and optional reference chemical substance
- Response-response curves using linear, threshold or experimental nonlinear data
- Derivation of a response-response curves using dose-response data for the two (key) events on both sides of the relationship. Current version can derive only nonlinear response-response curve and does not handle statistical errors
- Temporal concordance for two (key) events on both sides of the relationship.
- Transformation functions and transformation sets used to convert the output of the test system to equivalent in-vivo treatment and response.
- Effectopedia now supports a test server. Two different releases Effectopedia.jar and effectopediaT.jar are available for downloading one using the production database the other - test database. Additional warnings have been added on publishing.
***** Effectopedia 0.9.64 (r418) Alpha Update Log ***** 28 Feb 2016
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- The new version 0.9.64 introduces Test Response Mapping (TRM) user interface. Test response mapping captures all mathematical transformations which need to be made in order to interpret the output of a test assay in in-vivo settings. Multiple transformation function sets can be defined converting the measured test response to in-vivo response of equivalent concentration of the chemical at different target site of interaction. Target site was also indexed and will be used as a searchable properly to find all test methods which can be mapped to the same target site (usually corresponding to certain MIE). Different transformation sets can be also based on different assumptions, function choices and or applicability domains, etc. To capture all of these properties the transformation set interface has two description sections summarizing the Biological context comparative analysis and the Applicability domain, and a list of transformation functions. The list can contain as many transformation functions as needed and can be also empty in which case no transformation is made.
- The user interface of the transformation function, allows definition and evaluation of user defined expression. The following functions are currently supported:
NOT(expression) Boolean negation, 1 (means true) if the expression is not zero
RANDOM() Produces a random number between 0 and 1
MIN(e1,e2) Returns the smaller of both expressions
MAX(e1,e2) Returns the bigger of both expressions
ABS(expression) Returns the absolute (non-negative) value of the expression
ROUND(expression,precision) Rounds a value to a certain number of digits, uses the current rounding mode
LOG(expression) Returns the natural logarithm (base e) of an expression
LOG10(expression) Returns the logarithm (base 10) of an expression
EXP(expression) Returns e to a power of an expression
SQRT(expression) Returns the square root of an expression
SIN(expression) Returns the trigonometric sine of an angle (in degrees)
COS(expression) Returns the trigonometric cosine of an angle (in degrees)
TAN(expression) Returns the trigonometric tangens of an angle (in degrees)
SINH(expression) Returns the hyperbolic sine of a value
COSH(expression) Returns the hyperbolic cosine of a value
TANH(expression) Returns the hyperbolic tangens of a value
RAD(expression) Converts an angle measured in degrees to an approximately equivalent angle measured in radians
DEG(expression) Converts an angle measured in radians to an approximately equivalent angle measured in degrees
IF(Boolean expression, expression 1, expression 2) conditional expression returning expression 1 if the Boolean expression is true and expression 2 otherwise.
Boolean operators:
= Equals
== Equals
!= Not equals
<> Not equals
< Less than
<= Less than or equal to
> Greater than
>= Greater than or equal to
&& Boolean and
|| Boolean or
and mathematical operations:
Mathematical Operators
Operator Description
+ Additive operator
Subtraction operator
* Multiplication operator
/ Division operator
% Remainder operator (Modulo)
^ Power operator
Transformation functions are executed in the order of definition and modify the original data or the output of previously applied functions. Each function has a scope and transforms only a subset of the variables - for examples Treatment scope modifies chemical concentration (mean and raw data), Response modifies mean, median, minimal, maximal and raw response data.
- Experimental support evidences interface was updated to handle the choice of Transformation Set and allow generation of response - response with or without transformation.
- The user interface for the analytic function description (also used in the transformation function) now provides additional column for parameter description. This change need to be tested with and without uncertainty columns
- Graphical representation of the TestResponseMapping is now reduced to two symbols: ? and f for undefined and defined set of transformation functions.
- Several more editors now respond to double clicking on the title and loading the dedicated editor for the object.
- BugFix: Important for Mac OS users! Inconsistency of Java runtime environment on Mac (missing constant declaration, describing the multi-click interval) caused major problems in the use of the pathway editor by generating exceptions on each mouse click. Default interval is now assigned in case the variable is not defined and all interface modes seem to function normally.
- BugFix: Pasting data in the nonlinear response response tables did not paste the last raw of data in the new version the problem was fixed
- PartialFix: Merging file to the centalizedDB did cause corruption of the cenralizedDB and inability to load it on restart. Several changes have been made which reduced the corruption of the centralizedDB (now it is loading) but not all pathway components (i.e quantitative relationships) load normaly.Some of these changes include:
- (Technical details) EffectopediaObject.cloneFieldsTo(EffectopediaObject clone) was modified to add the clone to the idMAP in case CLONEIDs==false
- (Technical details) IDs getContainedIDs now calls recursively the getContainedIDs of the nested objects ( dislike to the parent method which does put the ids only to the parent referred objects and not their content
- (Technical details) DescriptionSection_Structured.process(BatchProcessor batch) was also added processing the associated structured content if possible
- (Technical details) Links now clone their quantitativeRelationships and temporalConcordances
- (Technical details) Pathways now clone their groups, uids, statuses
- (Technical details) Test clone their substanceDataIDs
- (Technical details) Test_InSilico overrides the standard update methods to include globalModelIDs
- (Technical details) DataSource.autoExternalID is still flagging an error for Assigining externalID for an object which is not indexed in the data set by the time of assigning
- The addition of DefaultObjects handling TransformationSets lead to introduction of a new version of the file format 0.9.64 which should be also backward compatible with 0.9.61
- BugFix: getDisplayValue was adding an extra blank space after the value with no apparent need.
- BugFix: ObjectPropertyMultivalued was modified to handle the case when multiple entries format has been used but no data recorder (count=0)
***** Effectopedia 0.9.63 (r417) Alpha Update Log ***** 22 Feb 2016
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- (Key) even relationship (the link between two effects in the original terminology) editor now supports the definition of multiple quantitative relationships of the same nature. This allows response response curves and analytic models derived from different information sources and or tested substances to be simultaneously stored and compared.
- Quantitative relationship editing panel was split into three sections. The first section captures the nonlinear or analytic response-response curve available in the previous version of the interface. The next two sections are available in a collapsible panel titled Support Evidences. Two types of supporting evidences are currently planned: experimental data and in silico models. This release implements only the experimental data support evidences.
- Experimental data support evidences interface initially shows a diagram allowing the user to define the origin and transformations of the data used for deriving the response response curve. Upstream and downstream (key) events are automatically filled in the diagram. The user then can pick from a list of available tests the method used to measure each of the (key) events. Once test method is selected the tested substance can be selected from the respective lists below the tests. Once the tested substance data is selected for both test methods a new panel appears showing the two (key) events in a single chart with common x axis and dual y axis. This chart is designed to show the transformed test data using the designated transformation functions / test response mappings. Current version however does not use transformation and shows the test data for both (key) events without any transformation.
- Current version also allows generation of a response-response curve in the simplest possible case when mapping only the existing measurements of the upstream (key) event / effect to the downstream (key) event/ effect (no interpolation) for the same chemical concentration. Future versions could allow data interpolation and also fit the data into different analytic models. Statistical errors are also not computed.
- The interface for editing nonlinear dose response curves was supplemented with two fields allowing editing of a description (notes). The new feature is availble for both: dose response or response-response curves.
- Temporal Concordance was included in the link description allowing users to add data for two time courses - one for the upstream element of the link and one for the downstream. All relevant interface (including dual axis capabilities in the chart component) for handling the data was also implemented. Currently it is used only in (key) event relationships, but will be potentially added to the all types of links.
- The new file format version 0.9.63 was introduced capturing all the changes in the default objects (describing time series and evidence supported quantitative relationships). It is backward compatible with the last 0.9.62 version
- Small cosmetic changes were made into EffectopediaUI and AddressBarUI to allow the display of very long title of a datasource without hiding the command toolbar buttons.
- EstrogenBinding qAOP chemical information was updated and files regenerated.
- Several refinements were made with respect to the editing of to the analytic functional relationships.
- PathwayHeader was slightly optimized to scale better ecpecially when shown in the element editor where the width of the panel is quite small.
- BugFix: Test_InLab did have a bug using clone.getParent() as paret of the cloned referenceIDs instead of the clone itself
- BugFix: Test interface mode did not react to double clicking on the tests (which for all other elements brings the dedicated editor for the selected component)
- BugFix: Some default objects clones in a secondary loaded dataSource had dataSource property pointing to the first loaded dataSource (effectopedia.org...). This caused problems with storing the essentiality descriptions of pathways and potentially many other problems.
- BugFix: UpdateParenhood of the Pathway method was not using the correct dataSource when creating clones of default objects causing the problem described above.
- BugFix: PathwayElements remained generic after assigning subobjects referenced by IDs (e.g. Test after adding new substance data). beforeUpdate was overridden to handle this case however does not completely cover any other scenario for modifying the generic status.
- BugFix: ObjectProperties were using the same types object instance (the default) which caused problems when loading custom types by modifying the default. ObjectProperties now use clones of the types containers.
Default description section title was changed to "Definition" instead of abstract.
- BugFix: New tested substances were added without parent test.
- BugFix: New tests added to a pathway were not associated with the pathway
- Bug Fix: Default object properties containing dose response data were not update to the latest Types which were initialized later in the DefaultEffectopediaObject code.
***** Effectopedia 0.9.62 (r411) Alpha Update Log ***** 27 Jan 2016
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Multiple changes and additions were made since last public release of version 0.9.46 the most significant of which are described below. Details can be obtained from the SVN release 338-411
*************** User interface changes ***************
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-------- Harmonisation with the OECD Guidance and terminology -------------
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The basic building block of AOPs: effects and links are now referred as (key) events and (key) event relationships, respectively. Since Link is broader concept it is still used to connect chemical structures with Molecular Initiating Events (MIE)s and two chemicals when representing absorption, distribution, metabolism, and excretion (ADME) processes. Effectopedia encourages linking of existing and creation of new and description of non-key events (e.g. biomarkers) as part of the AOP description. Since events can be key in some pathways and non-key in others the key term is shown in brackets.
Below are listed some of the harmonisation related changes
- Introduction of LinkType which could have one of three possible values Unknown, Direct and Indirect. The quantitative nature of relationship is now represented in the field Link Nature
- (Key) event Relationship Weight of Evidences is a structured description section which provides a field with four possible values undefined, weak, moderate and strong to summarise the weight of available evidences. The evidences can be further described in the body of the section by describing the biological plausibility, empirical support of linkage and uncertainties or inconsistencies. More details of the empirical support and uncertainties can be provided in the explicit elements (tests, transformation functions (test response mappings), measured data with statistical errors from multiple sources)
- Support of Essentiality of (Key) Events is now introduced as structured description section of an AOP element. Each event included in the pathway is listed as expandable structured description section. The essentiality of the key events can be categorised as undefined, weak, moderate and strong. A separate key word will be proposed for non-key events e.g. non-essential.
- AOP status free text field was introduced as part of AOP properties
- A comma separated list of pathway identifiers was also introduced as part of AOP properties. The OECD Project Number can be listed in this field.
- Several default description sections were added to different elements. E.g. Quantitative considerations, Applicability of the AOP, Considerations for Potential Application in the pathway description, Measurement and Detection section in the (key) events, etc.
--------------- Response response editing interface --------------------
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Response-response editing interface is now available in the (Key) Event Relationship (the link between two events). The interface allows the editing of Proportional, Threshold and data based Response-Response curves. New more universal Analytic function interface is under development which will allow the definition of wide variety of analytic functions. Also categorical response response curve will be also added for the cases where no continuous information is available. All data interfaces allow definition statistical errors (available by default are: standard deviation, standard error and 95% confidence interval). In case of analytic function the statistical error need to be provided using the same function type as the relationship.
------------------- Dose Response editing interface --------------------
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Dose response editing interface is now available in the Link between Chemical Structure and MIE, as well as part of summary information on tested substances in Test definition. Dose response in the Test definition can also include the data measured for a reference substance. All dependencies are shown in the embedded chart component along with error bars and areas. Appearance of the charts can be customized and saved as part of the description.
-------------------- Chemical substance interface ----------------------
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Major changes of the chemical structure interface were made with the introduction of substances. While the chemical structure elements represent an abstract notion of chemical a substance represents a physical entity which can be associated with specific supplier or manufacturer. Therefore a single chemical structure can correspond to one or more physical substances. The substances themselves can consist of constituents. Each constituent refers to a specific structure and its typical and actual percent of the mix mass. Each element of the physical mix can be marked as constituent or impurity. Substances can have their own list of identifiers and properties. The new substance interface is embedded in Chemical Structure interface in a collapsible panel
------------ Element editor in the Pathway View ------------------------
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New element editor is now available in the main pathway viewer available under View tab from the main interface. The new element editor allows users when in edit mode to click on any element of a pathway and load its dedicated editor. When clicking outside of any element the AOP editor is loaded providing overview of the whole pathway. Normal full screen editor is still available with double clicking on the representing visual element (or its title in any editor interface)
--------------------- Remote description sections ----------------------
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Description sections now can display remote web content not managed in Effectopedia. Two initial sources for remote content were allowed (white listed) Wikipedia and AOP-Wiki. The Wikipedia based description section allows embedding a related Wikipedia pages in the document description. Similarly information from AOP-Wiki can be embedded in Effectopedia. The pages AOP-Wiki content can be directly edited from Effectopedia interface using the normal editing capabilities of AOP-Wiki.
---------------------- Global in-silico models -------------------------
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Similarly to Studies which can consist of several lab based experimental assays and tests, several in-silico models can refer to a single global model. A Global in-silico model can be defined and used across several key events and respective (local) in-silico models. The global in-silico model interface is accessible in the in-silico test description can contain mathematical description of the methods used (including MathML formulas) and also a list of parameters describing the model. The parameter list allows users to specify the normal ranged of parameters, mean values, additional descriptors as well as descriptions and references. Each parameter can have more than one value based on different assumptions, references and so on.
***************** File format changes ****************
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- Current file format is version 0.9.61 and is not backward compatible with older versions of Effectopedia (current versions of Effectopedia can still open old versions of the file format but old versions of the program cannot read the current format). The change that produced this lack of backward compatibility is so called DefaultID Negative Revolution. All default objects have negative IDs which are incrementally decreased with the introduction of each new default object. This allows generation of XML files from Java source code which will be used in the future as a backup mechanism. There were several changes in the format related to naming of individual XML elements which also causes lack of backward compatibility.
- All experimental and model data are represented in a universal structure called ObjectProperties. This structure is currently used to represent: dose responses and response responses curves, model parameters, analytic function specification, etc. ObjectProperties is a list of ObjectProperty objects each of which has his own type defining its data format. Each object is also array of objects which contain a list of specified values e.g. mean, min, max value, description, reference as well as user defined list of descriptors for example chemical concentration, temperature in which the measurement was taken. Object properties can be also hierarchical and contain a list of sub properties. In summary the structure can represent a table with arbitrary number of columns and rows each cell of which is either simple value or can be another table.
*************** Architectural changes ****************
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Major internal source code restructuring was performed to allow cleaner separation of individual modules in line with the adopted OSGI architecture. The essential Effectopedia classes are defined in the kernel bundle of packages which include core, base, data, history, search and other system packages. The kernel does not refer to any external libraries nor depend on any other bundle and can be compiled in a standalone jar with approximate size of 1.5Mb. As part of this package is BaseIO interface which separates the data structure from different format implementations. Multiple implementations can be registered allowing Effectopedia to load and save information from different file formats and systems. Currently two XML format implementations are available one based on JDOM library (originally used in Effectopedia) and one based on Jackson library which is also used for the JSON implementation of BaseIO. All Effectopedia specific graphic representations of objects and their layout is implemented in go bundle. This bundle is used as a dependency from the base gui bundle which along with gui.swing implements the graphic user interface of Effectopedia. gui.javafx library provides rendering of webpages based on java webkit but is currently not available as bundle and prevent the full transition of Effectopedia toward OSGI.
***** Effectopedia < 0.9.62 Alpha Update Log *****
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Changes log for earlier versions is available in the respective folders under Archive.