Mainly contributing to WP5 and WP6 and supporting WP2-WP4 and WP7.
NovaMechanics will participate in several tasks in WPs 2, 3 & 7 and task leader or responsible of the deliverables in several WPs (4, 5 &6). More specifically will develop the predictive model for the release in WP4; in WP5 will develop the nanoQSAR model for predicting the toxicity scores, produce the structure-based theoretical descriptors and the meta-models and PBPK models for the prediction of properties, biological activities and the toxicokinetics of the NMs of interest. In WP6 will integrate into a user-friendly computational platform, the decision models.
NovaMechanics has the necessary expertise relevant to SABYDOMA project. NovaMechanics developed the following relevant tools/ services:
Enalos Cloud Platform: The company has significant experience in the development of web applications to enable labs and industrial companies to easily launch modelling, data analysis, image analysis and simulation tasks on flexible cloud computing resources, to lower the barriers to entry to complex scientific calculations. Through Enalos Cloud Platform the in house in silico workflows can be made available online through web services with the purpose to make NovaMechanics’ predictive models (WP4/WP5) available to the interested user wishing to generate evidence on potential effects in a decision-making framework (WP6).
Enalos Suite: This tool can package any predictive model developed by NovaMechanics in a completely custom made, platform-independent, standalone software
Enalos+ nodes for KNIME analytics platform: It offers a wide range of cheminformatics, bioinformatics and nanoinformatics functionalities into KNIME to enhance the solution of big data analysis, personalized medicine, clinical trials, computer aided drug discovery and material science problems (WP2/3).
Several tools for the calculation of structure based theoretical nanodescriptors descriptors (WP5).