SPCI: Structural and physicochemical interpretation of QSAR models
Pavel Polishchuk from UPOL
The SPCI tool enables automatic building of quantitative structure-activity relationship (QSAR) models and their interpretation. Interpretation is performed in terms of contribution of individual atoms or substructures into the modeling activity which information can be used for molecule optimization and visualization of structure-activity relationship captured by a model to better understand decision making of a model. The tool is available online https://spci.imtm.cz as well as a standalone application.
Meet us online every friday morning to explore the portfolio of ELIXIR CZ tools and services at https://global.gotomeeting.com/join/508817845 .
Registration is not needed
7. 5. at 9:30 – FireProt: Computational tool for the design of stable proteins.
14. 5. at 9:30 – 2DProts: Family-wide 2D diagrams of protein secondary structure.
21. 5. at 9:30 – Traveler: visualization of secondary structure of RNA molecules.
28. 5. at 9:30 – cpPredictor: template based prediction of RNA secondary structures.
Please note that online session will be recorded and may be used on ELIXIR CZ website, social media, in ELIXIR CZ e-publications and any other ELIXIR CZ online materials.