ScreenShots:
Software Description:
Espresso ELN is a fully featured electronic labnotebook (ELN) suited for organic, organometallic, polymer andpeptide chemistry, featuring a strong protocol editor, detection ofsynthetic context, substructure searches and optional data sharingand backup via server. It combines simple and intuitive handlingwith state of the art and beyond interface and functionality and issuited for all needs, ranging from universities and small companiesto big pharma teams.
The installation of the client usually is performed in less than aminute, also the optional server database can be set up rathereasily.
Focus On Protocol
Espresso ELN strategically focuses on the experiment protocol -after all, a lab notebook primarily exists for protocolingexperiments. Its highly functionalized protocol editor featurestext processor grade capabilities combined with chemical awarenessand content recognition. The editor features multi-step Undo/Redocapabilities, functionalized protocol elements, embeds images andany kind of documents, allows grouping of elements to indicatemixtures, prints WYSIWYG, and can efficiently be exported to PDF -including bookmarked embedded documents.
Synthetic Context
An experiment may share a common conversion with other experiments;this step may be part a synthetic step sequence, and finally thestep sequence may be connected to other sequences – think aboutalternative approaches towards a common target, or the synthesis ofvarious targets starting from a common building block. Espresso ELNvisualizes such contexts automatically and in an intuitive mannerby creating synthesis schemes on the fly. These auto-generatedschemes allow you to drill down to single experiments and are alsogreat for presentations.
Substructure Searches
Reaction substructure searches (RSS) are a highly powerful tool forchemists for finding similar structures and conversions. Thequeries are powered by a client-integrated, ChemBytes proprietaryquery engine, no server required. The returned results areconveniently grouped by identical reaction, and within each groupfurther sorted either by yield or by scale. In addition to chemicaldrawing based RSS-searches, Espresso ELN also supports theefficient text-based SMARTS query format.
Performance
Espresso ELN was built from ground up to work in aserver-independent manner. Since it always first interacts with alocal database, even if a server optionally is attached, itfeatures a remarkable responsiveness. When connected to a server,the local database synchronizes through a background process withthe server database whenever it is available, and collects changeswhen it is not.
Intellectual Property
Your intellectual property is valuable. That’s why Espresso ELNlets you sign your experiments with a digital signature whenfinalized. A digital signature is well accepted by authorities andprovides a much stronger protection than a handwritten one, sinceit allows to digitally detect any changes to the content afterapplying it. Experiments containing unauthorized changes aftersignature are labeled as invalid.
Long Term Archival
All project experiments can be saved into one single, contiguousPDF document. The contained experiments are sorted and bookmarkedby experiment-ID, embedded documents are referenced as experimentsub-bookmarks. As every PDF document, such archives can be viewedand searched on almost any platform and device, including tabletsand smart phones. In contrast to the archival into one PDF perexperiment, this approach requires significantly less overhead tolocate a specific experiment.
Sharing
When optionally connecting to the free Espresso ELN serverdatabase, you immediately take part in an in-house reactiondatabase, where you can find conversions already done by performingan organization-wide reaction substructure search. Or browsecomplete projects to obtain a contextual overview. And you can copyany found experiment as a starting point for your ownexperiment.
Backup
Backing up your work is essential. Your data could be lost afterhardware failure or after migration to a new machine. Espresso ELNoffers two ways to do this automatically: It either periodicallysynchronizes to a backup file in a safe location, or to the serverdatabase (if optionally connected). Experiments also are auto-savedperiodically to the local database.
Slim Infrastructure
Great functionality does not necessarily mean a complex anddifficult to maintain infrastructure. The self-contained client isinstalled in less than a minute. The optional Espresso ELN serverinfrastructure is lean and straightforward, the required databaseadministrator support is minimal. Users even can restore their ownlocal databases directly from their clients.
Specifications
General
– Highly functionalized experiment protocol editor.
– Responsive user interface.
– Integrated chemical drawing editor.
– Supports organic, organometallic, polymer, peptide andresin-bound chemistry.
– Built-in reaction substructure searches (RSS).
– IP-protection via digital signatures, providing proof ofintegrity and authenticity.
– Single document PDF archive of a range of projectexperiments.
– Automatic data synchronization to backup file or serverdatabase.
– In-house reaction database when synchronizing to server.
– WYSIWYG printing of experiments.
– Dashboard functionality, for immediate information about thecurrent state of your work.
– Easy installation and testing (no server required for full ELNfunctionality).
Protocol Editor
– Self-learning materials database.
– Multilevel Undo/Redo functionality.
– Experiment cloning (full or partial) for repeating similarexperiments.
– Automatic stoichiometric calculations.
– Copy/Paste of protocol elements, within or acrossexperiments.
– Visual material grouping to indicate a solution or mixture.
– Embedding of documents and images at any location within theprotocol.
– Workflow sections (reaction, work-up, purification, …)
– Switch layout from amounts first (lab view) to equivalents first(design view).
– Change the scale of an experiment, e.g. after cloning.
– Smoothly zoom into reaction sketch and embedded images fordetails.
– Zooms into error location.
Integrated Chemical Drawing Editor
– Supports organic, organometallic, polymer, peptide andresin-bound chemistry.
– Copy/paste and file exchange support with third party chemicaldrawing tools.
– Supports MDL V3000 file format.
Import/Export
– Exchange experiments with other users via import/exportfiles.
– Export experiments to PDF. Embedded documents are appended andbookmarked.
– Imports and pastes most ISIS/Symyx/Accelery Draw and ChemDrawsketches.
Auto-Generated Experiment Metadata
– Live summary of all materials required to run an experiment,grouped by name & supplier.
– Auto-updating temperature/time graphs (condition sequences).
Advanced Functionality
– Live reaction sequence analysis, displaying synthesis schemes ofall current reaction sequences of a project. Each reaction arrowprovides access to the underlying experiments.
– Reaction substructure searches – either locally, ororganization-wide if utilizing the server database option.
– RSC ChemSpider link for each reaction sketch component (access tophysical data, patents, spectra, etc.).
– Instantly search your reaction database for the reaction sketchof the current experiment, or get a summary of all projectexperiments containing it – by the click of a button.
– Detailed tables of contents, grouped by reaction and sorted bysynthesis sequence. Experiments can be sorted by date, yield orscale.
Server Functionality
– Global searches across the organization, resulting in aninvaluable in-house reaction database, preventing duplication ofwork and effort.
– Storage and backup of all team data in a central location.
– In case a user’s local experiment database is lost, e.g. due to ahardware failure, it can be recreated from the server. This can beperformed from client-side (no admin required).
– No need to modify the clients for server connection – allrequired functionality already is built-in.
Archival
– Exports a selectable range of project experiments, includingtheir embedded documents, into a single PDF document. This PDF issorted and bookmarked by experiment-ID, and can be stored, viewedand searched on virtually any platform, including smartphones andtablets.
Installer Size: 23.1 MB
Download Links : Espresso ELN v7.3.2.0 + Crack