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Workshop
FLIGHTED: Inferring Fitness Landscapes from Noisy High-Throughput Experimental Data
Vikram Sundar · Boqiang Tu · Lindsey Guan · Kevin Esvelt
Workshop
Gotta be SAFE: A New Framework for Molecular Design
Emmanuel Noutahi · Cristian Gabellini · Michael Craig · Jonathan Siu Chi Lim · Prudencio Tossou
Workshop
Gotta be SAFE: A new Framework for Molecular Design
Emmanuel Noutahi · Cristian Gabellini · Michael Craig · Jonathan Siu Chi Lim · Prudencio Tossou
Workshop
Neurosymbolic AI Reveals Biases and Limitations in ML-Driven Drug Discovery
Lauren Nicole DeLong · Yojana Gadiya · Jacques Fleuriot · Daniel Domingo-Fernández
Workshop
PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses
Charles Harris · Kieran Didi · Arian Jamasb · Chaitanya K. Joshi · Simon Mathis · Pietro Lió · Tom Blundell
Workshop
PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses
Charles Harris · Kieran Didi · Arian Jamasb · Chaitanya Joshi · Simon Mathis · Pietro Lió · Tom Blundell
Workshop
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
Ian Dunn · David Koes
Workshop
Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach
Adriana Carolina Gonzalez Cavazos
Workshop
Towards a Post-Market Monitoring Framework for Machine Learning-based Medical Devices: A case study
Jean Feng · Adarsh Subbaswamy · Alexej Gossmann · Harvineet Singh · Berkman Sahiner · Mi-Ok Kim · Gene Pennello · Nicholas Petrick · Romain Pirracchio · Fan Xia
Workshop
Towards a more inductive world for drug repurposing approaches
Jesus de la Fuente Cedeño · Guillermo Serrano · Uxia Veleiro · Mikel Casals · Laura Vera · Marija Pizurica · Antonio Pineda-Lucena · Idoia Ochoa · Silve Vicent · Olivier Gevaert · Mikel Hernaez
Workshop
VN-EGNN: Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
Florian Sestak · Lisa Schneckenreiter · Sepp Hochreiter · Andreas Mayr · Günter Klambauer
Workshop
DGFN: Double Generative Flow Networks
Elaine Lau · Nikhil Murali Vemgal · Doina Precup · Emmanuel Bengio