Poster Guidelines
- We recommend posters to be in A1 size in a portrait orientation
- There is no specific poster template for this workshop
- Presenters should print their posters ahead of time and bring them ready to the venue. We are not aware of on-site printing facilities
- Presenters should set up their posters on the morning of the workshop so they are available for viewing during coffee and lunch breaks
- Poster presentations will take place from 16:30-17:30 between the last plenary session and the concluding panel discussion
- Presenters need to remove their posters after the workshop concludes. The venue is shared with other thematic workshops taking place on the next day
Posters and Presenters
Poster 1 Brandon Yee, Maximilian Rutkowski, Wilson Collins. Multi-Modal Ensemble Learning for TLR4 Binding Prediction: Addressing Data Scarcity and Leakage in Small Molecule Drug Discovery
Poster 2 Aayush Kothari, Amish Gupta, Marx Akl. A Hybrid SMILES-DeepSMILES Transformer Approach Improving Fragment Prediction in Fragment-Based Drug Discovery with DeepBERTa
Poster 3 Yian Pei, Yi Xie, Zhaoyang Zeng, Jianfei Yang. Predicting Single-cell Transcriptomic Responses of Novel Genetic Perturbations across Context with DAPert
Poster 4 Sukanya Tukaram Naik, Roshan Balaji, Nirav Pravinbhai Bhatt. ReaXo : Geometry Enhanced 3D Molecular Interaction Representation Learning
Poster 5 Judah Zammit, Yan Sun, Carson Leung, Pingzhao Hu. SynergyIF: Multimodal Intermediate Fusion for Deep Tensor Completion in Anticancer Drug Synergy Prediction
Poster 6 Zhixing Wang, Nurul Binti Japar, Hao Tang. Beyond Bag-of-Words: A Topological Theory of Molecular Representation Using π-σ Interaction and Z2-Persistent Homology
Poster 7 Tuan Cao, Hai Luong. Parkinson’s on Purpose: A Disease-Vertical Agentic Pipeline from Literature to Leads
Poster 8 Md Mamunur Rashid, Kumar Selvarajoo. A domain-aligned multimodal attention autoencoder for predicting personalized clinical drug response from cell-line drug screens
Poster 9 Euibeom Shin, Amruta Gajanan Bhat, Murali Ramanathan. Large Language Models for Clinical Trial Protocol Assessments
Poster 10 Xichen Zhang, Loïc Paulevé, Tristan Cazenave. Mutation-Set Discovery for Cell-Fate Control: Nested Monte Carlo Search on Boolean Network Ensembles
Poster 11 Nhan Dinh Tran, Krithika Subramani, Chinh Tran-To Su. Epi4Ab: A data-driven prediction model of conformational epitopes for specific antibody VH/VL families and CDRs sequences
Poster 12 Songseong Kim, Jiyeon Kang, Jonghwan Kim, Hyemin Jung, Sangmin Lee, Kiyoung Kim, Soorin Yim, Doyeong Hwang, Sungjoon Park, Soonyoung Lee, Woohyung Lim. Utilizing Local Causal Structure Learning in Target Gene Identification for Alzheimer’s Disease
Poster 13 Hideyoshi Fuji. Synthesis-Driven Molecular Design: Growing and Linking Optimizers for Enhanced Synthetic Accessibility and Diversity in Drug Discovery
Poster 14 Oluwatosin Abioye Afolabi. Temporal Eigenstate Networks: Linear-Complexity Sequence Modeling via Spectral Decomposition
Poster 15 Shamieraah Jamal, Janice Jia Ni Goh, James Lu. Staying Ahead of the Curve: Considerations for Toxicity Endpoints in AI-Driven Development of Small Molecule RNA Binders
Poster 16 Amitesh Badkul, Lei Xie. Adaptive Individual Uncertainty Quantification with Expert-Routed Conformal Prediction for Protein-Ligand Binding Affinity Prediction
Poster 17 Murari Ambati. Causal Diffusion Models for Mechanism-Constrained De-novo Drug Generation
Poster 18 Cai Yichao, Sun Miao. Context-Aware Multi-Modal Learning for AI-Driven Target Discovery
Poster 19 Yap Thai Leong, Wan Kah Fei, Sim Wei Qiang, Lee Chop Yan, Lee Hui Zhen, Koh Xiao Hui, Ding Jia Wen, Chiam Poh Cheang. Building a Data-Efficient AI-Augmented Antibody Discovery (AIAD) Framework: A Lab-in-the-Loop Approach for Smarter Experimentation and Therapeutic Lead Identification
Poster 20 Daniel Darabos, Abhik Seal, Gyorgy Lajtai, James Lu. Using ESM-2 protein embeddings for tumor volume prediction in an ODE+GNN architecture
Poster 21 Gokul Srinath Seetha Ram. Impossibility Frontiers for Drug Discovery: Multi-Model LLaMA Orchestration, Topological Constraints, and RDKit-GNN Embeddings
Poster 22 Gokul Srinath Seetha Ram. Federated Latent Pharmacome: Decentralized Mechanism Discovery with Open LLaMA Models
Poster 23 David Scott Lewis, Enrique Zueco. The Algorithmic Alchemist: Advanced Generative AI Methodologies for De Novo Drug Design
Poster 24 Bum Chul Kwon, Ben Shapira, Moshiko Raboh, Shreyans Sethi, Shruti Murarka, Joseph A Morrone, Jianying Hu, Parthasarathy Suryanarayanan. STAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular Generation
Poster 25 David Scott Lewis, Enrique Zueco. The Acceleration of Molecular Discovery through Advanced Active Learning and Bayesian Optimization
Poster 26 Honggen Zhang, Xiangrui Gao, Lipeng Lai. siDPT: siRNA Efficacy Prediction via Debiased Preference-Pair Transformer
Poster 27 Ivona Martinović, Bryan Hooi, Tin Vlašić, Mile Sikic. Fréchet Transcript Distance (FTD): Evaluating Naturalness in mRNA Design