MOLECULE DESIGN & COLLABORATION
Quality in molecule design needs to be ensured from the get go to avoid unnecessary late-stage project setbacks. There’s data and tools to guide ideas, but the volume is staggering and it keep growing every day. There are experts for each area, more and more specialized, but often they’re at collaborating partners. Finding potentially useful bits is not an easy task by any measure. How does your team manage this? How does your team exploit the possibilities here? Quality and collaboration are the primary focus of Marvin Live.
Integrated data driven approach
The design and revision of molecules is supported by fast, automatic calculations based on the molecule. Predictions and searches can be done using your existing corporate services as well as ChemAxon’s solutions and public services in all stages of the work. There’s a set of useful tools when mining available chemical and biological data, when comparing and selecting promising leads, when reviewing the protein-ligand interaction, when exploring the property space of a hit compound or when planning the synthesis of new ideas. Other pluggable services allow importing ideas by corporate IDs, and exporting meeting content in a desired format to an idea database, and most typically to an ELN experiment sheet.
A brief summary of the available plugins are below, but this is a completely open API, so if your favorite solution has a webservice or a database connection point, we can add it.
SciFinder, Reaxys, ChEMBL, SureChEMBL, Corporate assay DB, Legislations, Registration
Med. chem. descriptors, QSAR models, Conformation, 3D overlays, Similarities, KNIME workflows, Pipeline Pilot protocols
Reactions, Inventory, eMolecules, MolPort, Export to ELN, Export to Registration, Export to PPT
Space for collaboration
Marvin Live is a meeting platform where members and contributors of a research project team can share and discuss ideas. It offers instantaneous sharing of molecules and their revisions across the team; versioning of ideas – called snapshots; tracking selected ideas in a compound series; and at the top level it supports authenticated domains where research departments can connect with their partners and drive projects forward in a secure manner. Marvin Live provides a quick way to refine ideas, and at the right time, invite colleagues for brainstorming sessions, joint design meetings, or later, regular review and planning meetings. The built-in meeting assistant takes care of everyday administration tasks, such as preparing relevant data, storing important ideas and writing meeting reports.