CDD Vault Update: New Chemical PropertiesJune 15, 2017-Our last release focused on chemistry enhancements, and this release continues that theme by extending the list of calculated properties that are available in CDD Vault. The following additional chemical properties are now available for you: LogD as calculated by ChemAxon at pH 7.4 LogS as calculated by ChemAxon at pH 7.4 Fsp3 (the fraction [...]
CDD Vault Update: ChemistryJune 9, 2017-Goodbye Applet First, some bittersweet news. The old Java-based Marvin Applet for editing and viewing structures is no more. Chrome, Firefox, and Edge have already dropped support for Java plugins, so it was time to move on. If you were using Internet Explorer to access the Marvin Applet, you should switch to one of these modern [...]
CDD Vault Update: Control Your Vocabulary with Pick ListsMarch 31, 2017-This release allows you to set controlled vocabulary for batch fields using pick lists. Batch Fields (formerly known as Registration Rules) Batch fields used to be called registration rules, and you can find them in the same place under your Vault settings: We introduced pick lists for readouts (protocol data) in the last release, and now [...]
CDD Vault Update: So Many Good ThingsMarch 10, 2017-We are very excited to bring you this release – it has been brewing for some time and contains many new additions to CDD Vault. We have completed a major upgrade to the infrastructure that runs CDD Vault, with a focus on improving performance, availability, and disaster recovery capabilities. In addition, CDD Vault now includes a handful [...]
CDD Vault Update: Fold changeDecember 19, 2016-This release introduces a new fold change dose-response calculation and a small change to the protocol import process. The fold change calculation is performed automatically, and has been calculated for your previously imported data. The updated protocols drop-down list streamlines the assay data import workflow by removing an extra step and automatically sharing a protocol definition with a new project.
CDD Vault Update: Cancel ExportSeptember 9, 2016-Today's release brings several usability enhancements to help you get data in to and out of your vault smoothly. Notably, we added an option to cancel an export, added support for European date formats, and made a couple of additions to the API.
CDD Vault Update: Software Upgrade Part 2August 19, 2016-Today's release brings another major upgrade to the software stack that CDD Vault runs on. This allows us to maintain good application security and paves the way for upcoming features. It was a massive amount of work, but if we did everything right you won't notice a difference. In addition we increased performance and introduced several small enhancements.
CDD Vault Update: Design RefreshApril 14, 2016-This release provides a visual refresh to CDD Vault, plus navigational cleanup and simplification. Design The new design greets you on the log-in page, and is applied throughout the site. We’ll let it speak for itself, but we hope you like it as much as we do. New Settings Page All settings have been consolidated [...]
CDD Vault Update: Introducing New Inventory for CDD VaultFebruary 27, 2016-Have you ever gone to the storage freezer to get a stock compound, only to discover that the vial is empty? Assuming you found the vial at all? Or have you spent the afternoon trying to track down a compound, wondering to yourself if there’s an app for that? And if you work in the [...]
CDD Vault Update: Software UpgradeFebruary 12, 2016-Today’s release brings a major upgrade to the software stack that CDD Vault runs on top of. This allows us to maintain good application security and paves the way for upcoming features. It was a massive amount of work, but if we did everything right you won’t notice a difference. Overwrite a saved search One [...]
CDD Vault Update: Usability enhancementsDecember 4, 2015-This release introduced several handy enhancements to CDD Vault: streamlined Explore Data sidebar supporting projects between vaults, color-coded plate summary statistics on the Run Summary tab, streamlined project membership interface, and streamlined sharing and removal of resources in projects. We have also added keyword searching for solvent data.
CDD Vision Update: HistogramsOctober 12, 2015-This update brings histograms to CDD Vision, and more flexibility in setting scatter plot scale ranges.
CDD Vault Update: Visualize Many Plots, Transcend your VaultAugust 14, 2015-This release introduces more projects in CDD Vault, and more plots in CDD Vision. Projects between Vaults allows groups collaborating across several vaults to search and visualize their data side-by-side in a single view. CDD Vision is enhanced with multiple scatter-plots.
CDD Vision Update: Launching Vision nowMay 2, 2015-We’re thrilled to announce the inaugural release of CDD Vision. Fully integrated with CDD Vault, CDD Vision provides powerful and intuitive visual analysis and plotting features. Whether you are a biologist looking for selective compounds, or a medicinal chemist looking to optimize chemical properties of active compounds, CDD Vision provides the tools to analyze and [...]
CDD Vision Update: More Calculations with Protocol ConditionsFebruary 14, 2015-This release adds new features to protocol conditions and dose-response calculations. In summary, you can now specify multiple condition values in your custom formulas, your search results will now show a separate column for each protocol condition, and you have more flexibility when defining dose-response curve validation.
CDD Vision Update: Calculations with Protocol ConditionsDecember 13, 2014-The full power of recently introduced protocol conditions is realized with this release, incorporating conditions into CDD Vision calculations. This means your data entry and management is simplified with fewer protocols, and data processing and analysis is flexible and powerful using conditions.
CDD Vault Update: Averaging numbers with modifiersNovember 26, 2014-In this update, we have changed the way numbers with numeric modifiers, such as IC50 values, are averaged. Previously imported data were automatically recalculated following the new rules, which are better suited to drug discovery applications.
CDD Vault Update: Maximum Measured ActivityNovember 3, 2014-Concentration response calculations- minimum and maximum measured activity are now reported.
API addition- download readout rows by run ID instead of run date. CDD Vision gets an update: you can build a predictive model from a molecule collection. And the release notes move to the CDD blog.
CDD Vault Update: Introducing Protocol ConditionsSeptember 26, 2014-You can now indicate that a readout definition is a protocol condition. Designating a readout definition as condition may not appear to be an exciting feature, but this release could revolutionize how you manage and process your assay results. Imagine that you run the same assay with five different species, and you want to see an average value for each molecule.
CDD Vault Update: Image Sizes and Solvents of CrystallizationAugust 20, 2014-Adjustable image size in the search results table “Small” molecules come in a variety of sizes, and you can now adjust the structure images to suit your molecules and eyesight. Dose-response plots and images from uploaded files also scale to the same small, medium, or large previews in the search results table. The size is [...]
CDD Vault Update: Search Results and Z-ScoreJuly 19, 2014-Full width search result table The search results table now uses the entire width of your screen, maximizing the data you can see without needing to scroll. Structure search limit The maximum number of structures matched by a similarity or substructure search has been increased to 100,000. A clear message is now shown when this [...]
CDD Vault Update: Calculations Using Multiple ProtocolsJune 28, 2014-The flagship feature of this release is the ability to perform calculations using results from multiple assays. This allows you to calculate the selectivity index and similar metrics. Calculations between protocols – part of CDD Vision The readout definitions you use in calculations can now come from multiple protocols. Like all calculations in CDD Vision, [...]
CDD Vault Update: Calculations and ModelsMay 10, 2014-We introduce CDD Vision, a new analysis and visualization product, predictive model building within CDD Vault, and a half-dozen smaller enhancements. We are excited to see what you can achieve with the tools in this release. Calculations within a protocol – part of CDD Vision This is the introductory release of CDD Vision, an optional [...]
Open source ECFP/FCFP circular fingerprints in CDKMay 10, 2014-CDD Vault now allows you to build predictive models. Because we believe in collaboration and reproducible results, we are releasing the core algorithms that underly this feature as open source software. The chemical fingerprints are detailed below, and we have also released our modified Bayesian model. Send an email to firstname.lastname@example.org if you’d like to try using [...]
CDD Vault Update: Averages and NormalizationMarch 14, 2014-Readout definitions: more flexible averaging You can now choose a different level of aggregation for each average readout, whereas previously the aggregation level was uniformly set for all readout definitions in the vault. The available aggregation levels are as follows: Batch/Run is good for replicate data in a single experiment (run). Replicated data from the [...]
CDD Vault Update: Preventing DuplicatesFebruary 28, 2014-This release makes it easier for you to avoid registering duplicate structures and includes a collection of other enhancements. Tautomeric structure detection When new structures are registered in the CDD Vault, they are compared to existing molecules. If equivalent structures are found by InChIKey, a suspicious “unintentional duplicates” event is reported. When this event is [...]
CDD Vault Update: Search page updatesNovember 22, 2013-This release brings a collection of handy enhancements to your searches and reports. “Not in” protocol search Have you ever wanted to find molecules that have NOT been tested in an assay so that you can schedule them for testing? With this release we add a “not in protocol” search that allows you to do [...]
CDD Vault Update: New import and search capabilitiesNovember 1, 2013-Update structureless molecules en masse (For vaults that use CDD’s molecular registration system) If you work in a vault with a registration system, you previously had to manually update each structureless molecule when the structure became available. That’s fine for the one-off compound, but a drag for a whole compound library. Now you can bulk [...]
CDD Vault Update: Batches can have files tooOctober 11, 2013-The last two releases brought you files-as-readouts. Now you can treat files as a special type of batch field. What does this mean? It means that you can associate images and other files directly with your structures! NMR spectra, MSDS sheets, crystal structures, requisition forms; you get the idea. Vault administrators will need to define [...]
CDD Vault Update: Do more with your filesSeptember 27, 2013-Bulk file import Last week we debuted files-as-readouts: the ability to attach a file to any experimental result, and view a preview of the file’s contents throughout your CDD Vault. But what if you have 10,000 files you’d like to store? Here’s how: multiple files can now be attached during a single import by uploading [...]
CDD Vault Update: A picture is worth a thousand … data points?September 20, 2013-In the informatics world, a picture may be worth a thousand numbers that you don’t have to enter. Just attach your image, plot, graph, or file and view it right next to your numeric assay results. In this release we introduce the ability to attach files to protocol readout rows so that image previews and [...]
CDD Vault Update: Dose-Response ExtraordinaireAugust 30, 2013-This release brings many sought-after enhancements for dose-response curve fitting, such as overriding IC50s and constraining fit parameters for individual curves. Plus much more; keep reading to find out! Amidst all of these features for biologists, we’ve added one new feature for chemists especially: preserving molecule orientation as drawn. For chemists Preserve molecule orientation and [...]
CDD Vault Update: Search from a ListJuly 19, 2013-This release allows you to search using a list of molecule keywords, without needing to provide any boolean operators. This means that you can copy-and-paste a list of molecule IDs, batch external IDs, or any other keywords directly from Excel, Word, Notepad or another application. As long as each term appears on a separate row, [...]
CDD Vault Update: Performance and Easier Report CustomizationJune 21, 2013-We are continuously working to improve the performance of your CDD Vault, although we almost never mention it here. After all, good performance should be something you can expect. We’re going to break that tradition with this release, since it includes a major infrastructure upgrade that we’ve had brewing for quite a while. CDD should [...]
CDD Vault Update: Gargantuan Summer Update!May 31, 2013-In this colossal release we introduce e-mail alerts, reference compound controls with plot overlays, an improved run summary for quality control, and new site navigation. E-mail Alerts Now you can automatically be notified when new results are added to CDD. These alerts are fully configurable, so you have control over the types of events that [...]
CDD Vault Update: Write APIApril 19, 2013-This release rounds out CDD’s Application Programming Interface (API). With fine-grained write access to molecule and batch objects, the API now provides bi-directional communication between the CDD Vault and your other tools. Link your ELN directly to the CDD Vault, combining the flexibility of ELN reaction capture with the SAR tables and search capability of [...]
CDD Vault Update: Prêt à importerApril 3, 2013-Prêt à importer Have you ever tried to start an import, only to find the vault locked by another user’s import? Well, no more! Now your vault is always ready to import! Map And Queue Imports At Any Time You can now map and queue imports at any time, regardless of other imports in progress. [...]
CDD Vault Update: Readouts-Only Data Import and an API UpdateFebruary 28, 2013-This release introduces a “readouts-only” import option which allows more actions to be performed concurrently in your Vault. The new API gains numerous features in this release with v1.1, and we introduce API extensions for Excel, Pipeline Pilot, and KNIME. Readouts-Only Import If you are only adding readouts (biology data), choosing this option on Step [...]
CDD Vault Update: Batch Fields, aka Configurable Registration RulesFebruary 1, 2013-CDD’s BFs are here. Despite the pop-culture “best friends” acronym, BF stands for Batch Fields, but we feel that they will become your best friends soon enough! Batch fields allow for customization of molecule registration rules to suit each vault’s needs. They apply to vaults with and without formal chemical registration, and are fully integrated [...]
CDD Vault Update: Say Hello to the New APINovember 20, 2012-For those of you that have been eagerly awaiting a way to connect your CDD data repository to other applications— the beta version of the API is here for your testing and coding pleasure! In addition to the Application Programming Interface, we’ve also updated the search results display and the handling of units of measurement. [...]
CDD Vault Update: Smörgåsbord!October 12, 2012-This release has something for everyone, from project managers to vault admins, and from informaticians to lab techs. Dashboard Reports As a project manager or a lab’s PI, you want a quick summary of your group’s progress. One click away from the Dashboard is the new Reports tab, which shows your team’s productivity over the [...]
CDD Vault Update: Escape from the Dose-Response ThicketSeptember 6, 2012-Before we introduce our next major feature release, here is a collection of small but helpful changes to CDD. Escape from the Dose-Response Thicket When a compound has been assayed many times, its dose-response plot can become an impenetrable thicket of curves. As of this release we only show the curves that match your search [...]
CDD Vault Update: Collections PolishAugust 17, 2012-With this release, we are polishing up molecule collections by adding two nice cherries on the top! Explore Imported Data You can now see all registered molecules and associated protocol data from a single imported file with one click. Once a data import is committed, click on the “Explore imported data” link to see the [...]
CDD Vault Update: 1536 wells of happinessAugust 8, 2012-We interrupt our regularly scheduled releases to announce 1536-well plate support. We just couldn’t wait. Import your plate data and CDD will automatically assign the correct plate size: 96, 384, or 1536-well. The new size is fully supported, including molecule plates maps, control layouts and data normalization, heat-map visualization and plate scatter plots with control [...]
CDD Vault Update: Cherry-Pick Your Search ResultsAugust 1, 2012-Have you been looking at your screening results, thinking to yourself “If only I could choose the first, the fifth, and the five hundred and sixty-first molecule from this list to add to my collection”? Well, maybe you haven’t yet, but we think you’ll find yourself wondering how you ever survived without these handy green [...]
CDD Vault Update: Unions, Complements, and Exclusive Disjunctions! Oh My!July 6, 2012-Unions, Complements, and Exclusive Disjunctions! Oh My! In this release we round out collection-based search with “Not In”, “OR” and “XOR” logical operations that may be performed on multiple collections. And if you accidentally added a molecule to a collection, you can now remove it and keep your collection current. Complements Remember how you can [...]
CDD Vault Update: More Collections and Detail Pages CleanupJune 20, 2012-This release introduces some additional Collections goodies as well as few usability enhancements for the the molecule, protocol, run, and plate details pages. Collections Intersection You can now search for all molecules that are in two or more collections (AND). New Collections Tab on Molecule Page Here you can see the collections that include this [...]
CDD Vault Update: Molecule CollectionsMay 21, 2012-Have you ever wished CDD tracked your lead molecules or allowed you to restrict searches using a list of molecules or even combinations of lists? Wish no more: we are introducing molecule collections. With this first release, you can create collections and search using one collection at a time. Even better, the next 3 releases [...]
CDD Vault Update: Spring Cleaning Release #3April 23, 2012-For this third installment, we introduce the highly coveted ability to edit salt data for batches, and a simplified workflow for registering new batches in registration vaults. Other enhancements include a standard deviation calculation for averaged data, as well as a black and white printing option for structure images. Simplified Batch Registration (For vaults that [...]
CDD Vault Update: Spring Cleaning Release #2April 6, 2012-This second installment of our Spring Cleaning series brings you two highly requested enhancements. Read on! Exact Keyword Search By default, molecule keyword searches now return results that match your terms exactly. This allows you to find a precise list of molecules using molecule names, user-defined fields, or any other combination of keywords. Of course, [...]
CDD Vault Update: Spring Cleaning Release #1March 30, 2012-Instead of adding the next major feature, we’re pausing for a moment to polish the existing application and implement your most commonly requested small changes. This is the first in a series of releases intended to make your day-to-day experience with CDD more enjoyable. Dose-Response: Better axes and labels X-axis labels now show concentration [...]
CDD Vault Update: Normalize Dose-Response Data? Yes We Can!March 16, 2012-With this highly anticipated release, you can start importing raw data for your dose-response experiments, and let CDD calculate % activity based on controls. This is building on existing functionality of calculating EC50 based on % activity. We hope you will be able to import dose-response data into CDD as they are generated, eliminating the [...]
CDD Vault Update: À la Carte Commit for Data ImportFebruary 29, 2012-This release introduces the ability to selectively reject/accept all events of a specific type. Sometimes, a data import can have some unexpected (and undesired) consequences. Before today, if you wanted to prevent those consequences, your only choice was to cancel the import, correct the file and re-upload. This was fine if you were only dealing [...]
CDD Vault Update: Small Changes to Start the New YearJanuary 20, 2012-Small Changes to Start the New Year CDD has been focused on a number of long-term projects over the last few months, but we’ve managed to find some extra time to provide the following updates: Customers with unparseable data files can now use the CDD Message board to exchange these files with CDD staff. When [...]
CDD Vault Update: Enhanced StereochemistryDecember 22, 2011-Key points Relative stereochemistry is a thorny area of cheminformatics. Here are the key points for CDD users: CDD sets the chiral flag to ‘absolute’ whenever you import from SD files or Molfiles. We do this to avoid unintentional duplicate structures and to ensure that structure search is consistent. If you need to record the [...]
CDD Vault Update: Enhanced Security OptionsDecember 18, 2011-Two-Factor Authentication In this release CDD introduces an optional second layer of user authentication for groups that prefer added security. While a strong password is sufficient for most groups, a Vault can now require a second authentication step via mobile device or telephone. CDD has partnered with Duo Security (www.duosecurity.com) to deliver this free option, [...]
CDD Vault Update: Collaboration Privacy: Vault Member NamesOctober 21, 2011-Collaboration Privacy: Vault Member Names While project data has and always will be secure, we are increasing privacy for Vaults that hinge on keeping their collaborator’s names hidden. The enhanced privacy should allow each Vault to invite every single collaborator working on a particular project to CDD. This way, everyone can take advantage of the [...]
CDD Vault Update: Importing Data: More Noteworthy EventsOctober 11, 2011-Importing Data: More Noteworthy Events We’ve fallen in love with the new data import summary, particularly how it reveals exactly what events will occur. It does such a good job of being clear and revealing that it highlighted some cases where we weren’t reporting noteworthy events. This release addresses that, along with many other small [...]
CDD Vault Update: A Single-Page QC ReportSeptember 23, 2011-The most critical decision you have to make when importing data in CDD is whether you should commit the data or not. The previous version of the report gave you access to all the information but it did a bad job highlighting the important facts that should drive your decision. The new single-page report groups [...]
CDD Vault Update: Importing Data with a Simpler Mapper (That Does More)August 22, 2011-You can now provide default values when importing data by adding virtual fields to your file. This change allowed us to remove the bulky Default Values section, presenting a cleaner interface to all users while preserving and expanding advanced functionality. Easily Add Missing Fields To add a default value for every record in your file, [...]
CDD Vault Update: Importing Data: Faster and Easier MappingJuly 29, 2011-Importing Data: Faster and Easier Mapping We’ve further refined the mapper to make it quicker and more intuitive. Here’s the new design: In addition to the design refresh, we have streamlined the data import process to only three steps. There’s now a link to create a mapping template on step two, in addition to the [...]
CDD Vault Update: Dose-Response Plots Enhancement GaloreJuly 7, 2011-With this last release in our series of dose-response improvements, we are very excited to introduce the following additions to your dose-response toolkit. Dose-Response Plots Enhancement Galore See All Your Plots First, we have enhanced the way we generate dose-response plots so that the application always displays and exports plots even when the associated compound [...]
CDD Vault Update: Dose-Response Improvements Part III: Got Controls?June 14, 2011-Control Lines and Standard Curves Do you screen positive and negative controls in your dose-response protocol? What about standard compounds? With this release, sample plots now include control lines and standard curves when displaying data for only one run. When all positive controls share the same concentration, a positive control line is shown in red: [...]
CDD Vault Update: Dose-Response Improvements Part II: IC50s, MICs and More, Oh My!June 3, 2011-Easier Import Dose-response data is now imported in a two-column format (e.g. concentration and activity) which means you no longer have to pre-define your dose series. This allows for variable concentrations across samples and enables you to import data directly from screening plates. We have deleted all mapping templates for dose-response data, because they no [...]
CDD Vault Update: Dose-Response Improvements Part I: Consistency!May 12, 2011-The calculation of dose-response data is now consistent throughout CDD. Previously we would calculate one EC50 for each row of data, but on the plot we would aggregate all the data by batch/run and perform a separate calculation. Now, all dose-response calculations are performed using the aggregate data from each batch/run, so the numbers in [...]
CDD Vault Update: Only Display Matching ReadoutsApril 22, 2011-Too many data point in the search table causing you to go cross-eyed? In this release search results are more precise and compact. Only Display Matching Readouts Now we display only the readouts that match your search criteria. For example, you have tested a molecule several times, but the activity was high in only one [...]
CDD Vault Update: A Smarter MapperMarch 30, 2011-When importing data, why should you have to tell CDD that your column named “SMILES” contains molecule structures? Shouldn’t CDD be able to figure that out? We now automatically select our best guess for how each header should be mapped, so you only need to click “Apply”. You can always override or ignore the best [...]
CDD Vault Update: Use Your Own LingoMarch 4, 2011-Would you rather say “assay” than “protocol”? Does “experiment” make more sense to you than “run”? We now allow the administrators of each Vault to choose their own synonyms for the following terms: molecule, batch, protocol, run,readout definition and readout. The place to set these is under the Settings sub-tab in the Manage Vault section. So track down your Vault admin [...]
CDD Vault Update: Data Upload ImprovementsFebruary 14, 2011-Importing your data is a critical and often tricky first step when using CDD. This is the first in a series of releases aimed at making data upload faster and easier. Look for the following: Create a run on-the-fly! Yes, you read correctly, you can now create a run on step 2 of the Import [...]
CDD Vault Update: And… the Portal is gone!February 8, 2011-The sidebar now allows you to control exactly which data (public and private) you want to see, all from a single interface: no more tiers, different versions of pages, or disappearing edit links. We’ve moved all searches you saved at the portal level into your Vault to provide a seamless transition. If you’re still using [...]
CDD Vault Update: Portal RemovalFebruary 3, 2011-We are happy to announce that we have started working on removing the portal. With projects, there is no longer a need to keep the portal, and frankly, we feel like the overall CDD experience will be much improved once it’s gone. We encourage anyone with concerns to contact support. In the true spirit of [...]
CDD Vault Update: Performance and Improving Load TimesJanuary 25, 2011-This release focused heavily on performance. We targeted improving load times on the protocols, molecules, and runs pages. A few other improvements include: Tautomer detection is always tricky in registration systems. To help, the application will now warn you when it detects a possible tautomer of an existing molecule in your Vault. The warnings can be [...]
CDD Vault Update: Show/Hide Projects and Data SetsJanuary 5, 2011-Back from the holiday break and ready to rock. We continue to focus our efforts on projects, but have decided to make some small tweaks to existing features along the way. Show/Hide projects and data sets Inundated with projects from way back when? Keep active projects in the sidebar and hide the rest. Use the [...]
CDD Vault Update: Saved Searches and Messages for ProjectsDecember 17, 2010-A few more tweaks before enjoying the holidays. Based on feedback and potential IP concerns, saved searches are now project specific at the vault level. Click the “save this search” link on the search page, type in a name and select a project. When posting a message, the list of people you can notify is now updated [...]
CDD Vault Update: Move a Run Between ProjectsDecember 10, 2010-We have been busy enhancing the initial project-related capabilities released on November 19th. Based on your feedback, we also added the following new features: Move a run You can now move a run from one project to another. After clicking on a specific run date, click the Run Details subtab. On the side, click the “Move [...]
CDD Vault Update: Manage Projects PageNovember 25, 2010-We performed some minor cleanup tasks and added help messages to the Manage Projects page and the search results. You can again see public data set descriptions by clicking on the “More…” link in the sidebar.
CDD Vault Update: Project-Based CollaborationNovember 19, 2010-… and we’re back! We’ve spent the last three months building projects, the next generation of CDD Collaborate. Introduction We built projects to help you do the following kinds of things: Collaborate on live data: Colleagues at another institution will be running followup studies on your hit list, and you’d like them to upload the [...]
CDD Vault Update: Enhanced Data Normalization and VisualizationAugust 20, 2010-This release completes (for now) our effort to streamline data quality control and analysis. We’ve enhanced data normalization and visualization capabilities, as well as tweaked the final step of the workflow for importing data. Because this release contains a lot of functionality, a short narrative will facilitate our run-through of the new features. Visual Quality [...]
CDD Vault Update: Automatically Calculate Average ValuesJune 30, 2010-With this release, you can now automatically calculate average values for all data you import into CDD. This is helpful if you perform replicate measurements but typically only want to search and view the average of these replicates. We have also significantly expanded outliers functionality to allow you to flag any readout as an outlier, [...]
CDD Vault Update: Structure Masking and Biologist User RolesMay 19, 2010-In a common scenario encountered by our users, chemical libraries for a project have already been imported, and the individuals who are screening compounds do not want to accidentally add or modify molecules. In another related scenario, some of our users want to allow access to their vaults without disclosing any chemical structures. This release [...]
CDD Vault Update: Faster Scatterplots and Data ImportApril 9, 2010-This release primarily provides performance improvements when loading scatterplots and importing data into your Vault. We also made a number of behind-the-scenes improvements that will help us manage and support our growing user base better. Finally, we fixed several bugs discovered from the previous release. We have increased the maximum number of unique structures that [...]
CDD Vault Update: Search Across All Data Sets at OnceMarch 5, 2010-The big story in this release is the new CDD Portal, which allows you to search across all of your CDD Vaults and available data sets at once. Prior to this release, if you had data in multiple vaults, you could only search within each vault individually. This release also includes a much requested smaller [...]
CDD Vault Update: Preparing for ProjectsJanuary 22, 2010-Most of the work for this release was behind-the-scenes restructuring to prepare for the upcoming series of “projects” releases. There were a few user-visible enhancements delivered, however. As of this release, if your data import has errors, you now have the option to commit the import (so that data without errors is added to your [...]
CDD Vault Update: ScatterplotsDecember 18, 2009-The big story this month is the beta release of our new scatterplots module. In addition, you can now specify more detailed run criteria on the Explore Data/Search page, and you can view and delete your mapping templates (for more about mapping templates see the October 2 release below). Scatterplots We are happy to announce the beta [...]
Scatter Plots Are Live on CDD!December 18, 2009-Just in time for the holiday, we are happy to announce the beta release of a much-requested feature addition to CDD Vault: Scatter Plots. Before we delve into details, note that we’ve implemented this feature without requiring the installation of additional plug-ins and in a way that works for all supported browsers (and even some [...]
CDD Vault Update: Export to CSVNovember 25, 2009-Export to CSV This release adds the ability to export any search results in the CSV (Comma Separated Values) format. This is the fastest way to export large amounts of data, and the resulting file can be easily opened with Excel. Your export format preference (XLS, CSV or SDF) is remembered by the application. We [...]
CDD Vault Update: Export dose-response plots to ExcelNovember 20, 2009-This release wraps up a series of releases focused on data import. We have also included a couple highly requested smaller features (the top two below). The next major feature we plan to tackle before the end of the year is scatter plots. Contact support for a preview. Export dose-response plots to Excel We are happy [...]
CDD Vault Update: Hydrate supportNovember 10, 2009-Hydrate support (Only for vaults using CDD’s “registration system” module) For each batch we now explicitly record the number of hydrates associated with the given salt of the molecule. This primarily affects batch formula weight calculations. During data import and manual registration, in addition to stripping hydrates from core structures, we now record the number of [...]
CDD Vault Update: Add Prefixes, IUPAC Name Support, Neutralization and MoreOctober 30, 2009-This is a minor release providing several useful new features and a few design and bug fixes. Automatically add prefixes to molecule names, plate names, and batch external identifiers In Data Import Step 2, you can now provide prefixes to prepend to, for example, every molecule name in the file. This is very helpful when [...]
CDD Vault Update: Release of CDD3October 2, 2009-This is the first release of CDD3, whose overarching goal is to streamline, simplify and enhance the user experience. Dashboard The dashboard has been completely redesigned to provide you with quick links to the data and tools you access most. In addition to the standard recent activity log, the Recent Activity tab now lists recent protocols and [...]
New Release: Customize Mine ResultsJanuary 24, 2009-Last evening we released the latest update to CDD, customizable mine results. This release makes it easy to add (or remove) protocols, readouts, molecule synonyms and/or user-defined fields to/from your mine results, allowing you to customize the displayed data to be most relevant. To access this new feature, perform a mine query, then click the [...]
New Release: Archive ReferencesDecember 29, 2008-We’re happy to announce the release of the latest version of CDD’s software, now available live at www.collaborativedrug.com. The big update in this release is the ability to archive information on scientific references (references as in the references section of a publication). There are two goals for this functionality: 1) to allow researchers to share [...]