Dec 19, 2025 - Budapest
A collection of Multicomponent reactions is out in MKF
Our recent study evaluating the possible utilization of multicomponent reactions in generating virtual chemical libraries can be access freely in Hungarian Chemical Papers (Magyar Kémiai Folyóirat). Although written in Hungarian, the last page summarizes the work in English and the reactions described in SMIRKS can be accessed. Feel free to utilize them!
Nov 19, 2025 - Budapest
ChemIViL team members presenting on BME TDK 2025
Members of the ChemIViL Group presented 3 recent works at the 2025 Student Research Societies Conference (TDK). Two high school teams showed the project work on synthesis automation and Éva Bodrogi presented her automated amide synthesis workflow.
Aug 17, 2025 - Online
Preprint out about identifying new anti-Kasha emitters
Our latest preprint is available on ChemRxiv about utilizing virtual screening technologies to identify rare structures that violate the Kasha rule. Molecules which display two optical emission bands are very rare but in the project 5 anti-Kasha emitters and 2 dual-emitters were identified. Read the paper now on ChemRxiv!
Mar 7, 2025 - Budapest
STEM Academy mentroship for highschool students
The opening event of the STEM Academy launched by the university was held at BME. The programme provides complex talent management and related financial support for 11th grade students with STEM (science, technology, engineering, mathematics) talents. From the selected students, Dóra Nikolett Pál will be mentored by David Havasi in the field of synthesis automation and cheminformatics.
Jul 1, 2024 - Budapest
RoboSynth platform for efficient supply of compounds for pharmaceutical research
Aiming to develop afully autonomous, robotized platform, capable of producing millions of different compounds in small quantities based on a diverse reagent library and a set of robust chemical reactions, the RoboSynth project was recently launched.
Aug 30, 2023 - Online
DIY Virtual Chemical Libraries article published in ACS Medicinal Chemistry Letters
The concept of the Do-it-Yourself virtual chemical library was recently published as a result of BME-Mcule collaboration. The work presents a cost effcient approach for generating novel starting points for discovery projects, and includes laboratory prepatred examples from the generated 14 million sized chemical space.
Nov 28, 2022 - Online
CoPriNet article published RSC Digital Discovery
The research article of Ruben Sanchez-Garcia (University of Oxford) et. al., has recently been published in Digital Discovery. Authors focused on developing a graph neural network-based compound price predicting method, in order to offer an alternative approach for molecule prioritisation for researchers to retrosynthetic tools.
May 5, 2022 - Frankfurt am Main
DiaDEM project officially launched
The University of Liverpool (UK) teamed up with NanoMatch (GER) and Mcule (HUN) started the novel project called DiaDEM to provide a novel, integrated platform to the materials discovery industry, enhancing the development of organic semiconductors. The EU and UKRI funded project aims to revolutionise materials discovery by providing a novel solution so far generally available for the drug discovery sector. For more information visit https://www.diadem-project.eu