Frontiers in Medicinal Chemistry 2025

Meet Novalix at Frontiers in Medicinal Chemistry 2025! This international symposium will take place in Erlangen, Germany. Organized by the German Chemical Society, it will focus on current developments, novel approaches and cutting-edge technologies in the field of medicinal chemistry and drug research.

Ruel Cedeno, PhD, Project Manager Computational Chemistry, will present two posters during the event. Do not miss them!

“Generative AI for drug design: a powerful tool to support medicinal chemists”

Poster réf. P003
Abstract: One major challenge in medicinal chemistry is to design compounds that satisfy multiple parameters simultaneously (potency, efficacy, physicochemical and ADME-PK properties, synthesizability, patentability etc). Generative artificial intelligence (AI) has emerged as a promising tool to address this with the help of de novo design guided by multiparameter optimization (MPO) algorithms. In this work, we built an automated in silico workflow which takes our project data and structural constraints as input and optimized molecules as output, leveraging the leading opensource packages and proprietary softwares. […]
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“Evaluating the diversity and target addressability of DELs using scaffold analysis and machine learning”

Poster réf. P004
Abstract: DELs enable efficient experimental screening of vast combinatorial libraries, offering a powerful platform for drug discovery. Apart from ensuring the druglike physicochemical properties, other key parameters to maximize the success rate of DEL designs include the scaffold diversity and target addressability. While several tools exist to assess chemical diversity, a dedicated computational approach combining both parameters is currently lacking.
Here, we present a cheminformatics tool leveraging scaffold analysis and machine learning to evaluate both scaffold diversity and target-orientedness. […]
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More on Frontiers in Medicinal Chemistry 2025

The scientific program of the event will include lectures, poster presentations and sessions covering case studies, highlights in medicinal chemistry, GPCRs and other membrane proteins. computational technologies, new developments in autoimmunity and inflammation…

A great program attractive to both industrial and academic scientists in medicinal chemistry, chemical biology, and related fields of research!

Visit us at our booth

Novalix is a Silver Sponsor at Frontiers in Medicinal Chemistry. If you are also attending, just contact our representatives to set up a meeting on our booth: