A foundation model for bioactivity prediction using pairwise meta-learning
Bin Feng, Zequn Liu, Nanlan Huang, Zhiping Xiao, Haomiao Zhang, Srbuhi Mirzoyan, Hanwen Xu, Jiaran Hao, Yinghui Xu, Ming Zhang, Sheng Wang
ActFound is a foundation model for bioactivity prediction trained on 2.3 million compounds and 50,869 assays, showing strong generalization and performance comparable to FEP+(OPLS4).
bioRxiv · Oct 30, 2023 · PreprintBioinformatics