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124 Results
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FLIGHTED: Inferring Fitness Landscapes from Noisy High-Throughput Experimental Data Vikram Sundar · Boqiang Tu · Lindsey Guan · Kevin Esvelt |
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Gotta be SAFE: A New Framework for Molecular Design Emmanuel Noutahi · Cristian Gabellini · Michael Craig · Jonathan Siu Chi Lim · Prudencio Tossou |
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Gotta be SAFE: A new Framework for Molecular Design Emmanuel Noutahi · Cristian Gabellini · Michael Craig · Jonathan Siu Chi Lim · Prudencio Tossou |
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Neurosymbolic AI Reveals Biases and Limitations in ML-Driven Drug Discovery Lauren Nicole DeLong · Yojana Gadiya · Jacques Fleuriot · Daniel Domingo-Fernández |
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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 |
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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 |
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Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure Ian Dunn · David Koes |
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Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach Adriana Carolina Gonzalez Cavazos |
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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 |
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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 |
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VN-EGNN: Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification Florian Sestak · Lisa Schneckenreiter · Sepp Hochreiter · Andreas Mayr · Günter Klambauer |
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DGFN: Double Generative Flow Networks Elaine Lau · Nikhil Murali Vemgal · Doina Precup · Emmanuel Bengio |