Programme

Wednesday, 15th October 2025
08:30 - 09:00 Registration opens
09:00 - 09:10 Welcome and opening by Prof. Falk Schreiber and Prof. Jian Li
Session 1: AI-Driven Drug Design / Chemoinformatics
Session Chairs: Prof. Jian Li and Prof. Mark Cronin
09:10 - 09:35 Prof. Mark Cronin (Liverpool John Moores University, UK)
When AI met toxicity, getting predictions of complex effects accepted
09:35 - 09:45 Discussion
09:45 - 10:10 Prof. Tony Velkov (Monash University, Australia)
Smarter scaffolds: Harnessing AI for lipopeptide innovation
10:10 - 10:25 Discussion
10:25 - 10:45 Coffee break
10:45 - 11:05 Assoc. Prof. Mu Yuguang (Nanyang Technological University, Singapore)
End-to-end AI-based preclinical drug discovery platform
11:05 - 11:15 Discussion
11:15 - 12:00 Accepted Paper Talks
12:00 - 14:00 Lunch break
Session 2: Bioinformatics and Omics
Session Chairs: Prof. Tony Velkov and Assoc. Prof. Marco Fondi 
14:00 - 14:25 Dr. Sebastian Lobentanzer (Helmholtz Zentrum München, Germany)
Accessible biomedical AI: open-source frameworks for trustworthy agentic systems
14:25 - 14:40 Discussion
14:40 - 15:10 Accepted Paper Talk
15:10 - 15:35 Asst. Prof. Jiawei Wang (University of Bath, UK)
Learning protein languages from microbes across different ecosystems
15:35 - 15:50 Discussion
15:50 - 16:10 Coffee break
16:10 - 16:35 Dr. Diyuan Lu (Helmholtz Zentrum München, Germany)
Machine learning for antibiotic resistance prediction in H. pylori: insights from whole-genome sequencing
16:35 - 16:50 Discussion
16:50 - 17:30 Accepted Paper Talks

Thursday, 16th October 2025
Session 3a: AI-Driven Pharmacometrics
Session Chairs: Dr. Amy Cheung and Asst. Prof. Nicholas Smith
09:00 - 09:25 Prof. Sebastian Wicha (University Hamburg, Germany)
From therapeutic drug monitoring to model-informed precision dosing for antibiotics
09:25 - 09:40 Discussion
09:40 - 10:05 Assoc. Prof. Gauri Rao (University of Southern California, USA)
Modeling host immune dynamics in response to bacterial infection
10:05 - 10:20 Discussion
10:20 - 10:40 Coffee break
10:40 - 11:05 M.D. Radu Botgros (European Medicines Agency)
PK/PD and AI in the approval of antibiotics in the European Union.
11:05 - 11:20 Discussion
11:20 - 11:50 Accepted Paper Talk
11:50 - 12:15 Assoc. Prof. Xiaojie Wu (Fudan University / Huashan Hospital, China)
Model-informed drug development in China for antimicrobial agents
12:15 - 12:30 Discussion
12:30 - 14:00 Lunch break
Session 3b: AI-Driven Pharmacometrics
Session Chairs: Prof. Sebastian Wicha and Assoc. Prof. Gauri Rao
14:00 - 14:25 Dr. Yaxin Fan (Fudan University, China)
Machine learning-enhanced model-informed precision dosing of antimicrobials in clinical practice
14:25 - 14:40 Discussion
14:40 - 15:10 Accepted Paper Talk
15:10 - 15:35 Dr. Amy Cheung (Certara Drug Development Solutions)
The strength and opportunities for model-informed drug development (MIDD) for antimicrobials
15:35 - 15:50 Discussion
15:50 - 16:10 Coffee break
16:10 - 16:35 Asst. Prof. Nicholas Smith (University at Buffalo, USA)
Translational PK/PD to optimize the use of complex biological and biotic agents as anti-infectives
16:35 - 16:50 Discussion
16:50 - 17:00 Small break
17:00 - 18:00 Accepted Paper Talks

Friday, 17th October 2025
Session 4: Molecular Dynamics Simulations & Virtual Cell / GSMM & Imaging
Session Chairs: Prof. Falk Schreiber and Assoc. Prof. Mu Yuguang
09:00 - 09:25 Prof. Kai Yang (Soochow University, China)
Computational design of artificial antimicrobial agents via entropy–enthalpy optimization
09:25 - 09:40 Discussion
09:40 - 10:10 Accepted Paper Talk
10:10 - 10:30 Coffee break
10:30 - 10:50 Assoc. Prof. Marco Fondi (University of Florence, Italy)
Modelling the emergence and spreading of antimicrobial resistance in microbial communities
10:50 - 11:00 Discussion
11:00 - 11:25 Prof. Patrick Müller (University of Konstanz, Germany)
AI phenomics to decode antimicrobial mechanism and toxicity from spatiotemporal embryo images
11:25 - 11:40 Discussion
11:40 - 12:00 Accepted Paper Talk
12:00 - 14:00 Lunch break
Session 5: Round Table Discussion
Session Chairs: Prof. Jian Li and Prof. Falk Schreiber
14:00 - 15:15 Round Table Discussion
15:15 - 15:30 Conclusion
15:30 - 18:00 Networking / Free Afternoon / Visiting Prato


ICAComP 2025 is organised by Monash University, Melbourne, Australia and University of Konstanz, Konstanz, Germany


Sponsor: Monash University

Sponsor: University of Konstanz

Contact

ICAComP 2025 local organiser (icacompconference
@gmail.com)

Monash University Prato Campus, Prato, Italy