The project started 1st May 2022, and it is terminated. All activities performed are according to the plan.
We have implemented the DiaDEM platform as planned during RP1. The developments were carried out according to the development guidelines set out at the beginning of the project to ensure a high quality implementation. We have updated the data models to allow new functionality, such as usage of “analogous molecules” for extended datasets, quotes, query and compute history. Implementation of backend and frontend functionality was carried out in close consultations with scientific goals (WP4) and user interaction (WP3). User management was implemented using secure services for user authentication (AWS cognito) and billing (Paddle, MoR). This ensures maximal security with state-of-the-art standards that are kept up-to-date by the service providers. In addition, Paddle as MoR (merchant of records) enables legally bulletproof transactions with users worldwide with close to zero initial costs, enabling a global launch of DiaDEM. User documentation was implemented and is hosted on diadem.readthedocs.org. This documentation was updated constantly according to scientific and technical developments. The link to the supply channel was established by an automated quote request in the checkout step of DiaDEM. The development of crystal structure prediction was completed. In addition, calculators for additional properties, Stokes-shift, condensed-phase ionization potential (IP) and electron affinity (EA). These are key properties for aligning organic electronic compounds to a specific application. Regarding the data set, expanded the preliminary proof-of concept database and aligned it with current Mcule database. Furthermore, advanced filtering criteria for solubility, toxicity and patentability prediction were developed and implemented to the DiaDEM platform. Finally, we developed a novel virtual library dedicated to the future users of DiaDEM. The database was developed based on the concept of Mcule’s ULTIMATE taking into account the need for novel conjugated cores. Our approach resulted in almost 30M products that could be utilized in the DiaDEM platform, while also allowing continuous future expansions based on building blocks and chemical reactions.
For validating the technical performance of DiaDEM platform, we performed a two round beta test. The beta test proved that the platform is functioning properly (without major issues) at a level of Minimum Viable Product (MVP). The users found the platform unique, would use it in the future and would recommend it to others. This feedback proved that DiaDEM is a valuable tool for researchers in the organic electronics domain both in academic and industrial sector. We performed customer development activities on-line and on different events. We applied multi-channel approach to identify and engage potential clients. For the business viability, we prepared a business plan in the form of EIC Accelerator application. As a result, we submitted a successful EIC Accelerator Stage 1 application.
We decided to form a spin-of company for exploitation of project results. The spin-off company, Apoello is registered in the UK. Apoello’s vision is to revolutionise organic electronics by becoming the leading digital materials discovery platform, driving innovation and enabling a sustainable future through groundbreaking materials. We have been carrying out several fundraising activities for financing the post project actions.
