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124 Results
Workshop
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All You Need is LOVE: Large Optimized Vector Embeddings Network for Drug Repurposing Sina Akbarian · Sepehr Asgarian · Jouhyun Jeon |
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FragXsiteDTI: an interpretable transformer-based model for drug-target interaction prediction Ali Khodabandeh Yalabadi · Mehdi Yazdani-Jahromi · Niloofar Yousefi · Aida Tayebi · Sina Abdidizaji · OZLEM GARIBAY |
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Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach Adriana Carolina Gonzalez Cavazos |
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ComboPath: A model for predicting drug combination effects Duminda Ranasinghe · Changchang Liu · Daniel Spitz · Hok Hei Tam · Nathan Sanders |
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Offline RL for generative design of protein binders Denis Tarasov · Ulrich Armel Mbou Sob · Miguel Arbesú · Nima Siboni · Sebastien Boyer · Andries Smit · Oliver Bent · Arnu Pretorius · Marcin Skwark |
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Knowledge-based in silico models and dataset for the comparative evaluation of mammography AI Elena Sizikova · Niloufar Saharkhiz · Diksha Sharma · Miguel Lago · Berkman Sahiner · Jana Delfino · Aldo Badano |
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The neural scaling laws for phenotypic drug discovery Drew Linsley · John Griffin · Jason Brown · Adam Roose · Steven Finkbeiner · Peter Linsley · Jeremy Linsley |
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Workshop
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Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach Adriana Carolina Gonzalez Cavazos |
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Fri 6:15 |
New Frontiers of AI for Drug Discovery and Development Animashree Anandkumar · Ilija Bogunovic · Ti-chiun Chang · Quanquan Gu · Jure Leskovec · Michelle Li · Chong Liu · Nataša Tagasovska · Mengdi Wang · Wei Wang |
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DiffDock-Site: A Novel Paradigm for Enhanced Protein-Ligand Predictions through Binding Site Identification Huanlei Guo · Song LIU · Mingdi HU · Yilun Lou · Bingyi Jing |
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Workshop
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DiffDock-Site: A Novel Paradigm for Enhanced Protein-Ligand Predictions through Binding Site Identification Huanlei Guo · Song LIU · Mingdi HU · Yilun Lou · Bingyi Jing |
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DGFN: Double Generative Flow Networks Elaine Lau · Nikhil Murali Vemgal · Doina Precup · Emmanuel Bengio |