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6 Results
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Workshop
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On Modelability and Generalizability: Are Machine Learning Models for Drug Synergy Exploiting Artefacts and Biases in Available Data? Arushi Gandhi |
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Workshop
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LLM Drug Discovery Challenge: A Contest as a Feasibility Study on the Utilization of Large Language Models in Medicinal Chemistry Kusuri Murakumo · Naruki Yoshikawa · Kentaro Rikimaru · Shogo Nakamura · Kairi Furui · Takamasa Suzuki · Hiroyuki Yamasaki · Yuki Nishigaya · Yuzo Takagi · Masahito Ohue |
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Poster
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Thu 8:45 |
Learning Invariant Molecular Representation in Latent Discrete Space Xiang Zhuang · Qiang Zhang · Keyan Ding · Yatao Bian · Xiao Wang · Jingsong Lv · Hongyang Chen · Huajun Chen |
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Poster
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Thu 15:00 |
GAUCHE: A Library for Gaussian Processes in Chemistry Ryan-Rhys Griffiths · Leo Klarner · Henry Moss · Aditya Ravuri · Sang Truong · Yuanqi Du · Samuel Stanton · Gary Tom · Bojana Rankovic · Arian Jamasb · Arian Jamasb · Aryan Deshwal · Julius Schwartz · Austin Tripp · Gregory Kell · Simon Frieder · Anthony Bourached · Alex Chan · Jacob Moss · Chengzhi Guo · Johannes Peter Dürholt · Saudamini Chaurasia · Ji Won Park · Felix Strieth-Kalthoff · Alpha Lee · Bingqing Cheng · Alan Aspuru-Guzik · Philippe Schwaller · Jian Tang |
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Poster
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Tue 8:45 |
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model Shiwei Liu · Tian Zhu · Milong Ren · Chungong Yu · Dongbo Bu · Haicang Zhang |
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Poster
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Thu 15:00 |
Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen · Yanqiao Zhu · Jieyu Zhang · Yuanqi Du · Zhixun Li · Qiang Liu · Shu Wu · Liang Wang |