化合物评价函数2020年之后的文献
时间: 2024-01-01 14:28:02 浏览: 30
以下是2020年以后发表的一些关于化合物评价函数的文献:
1. Huang, Sheng-You, et al. "A deep learning-based scoring function for predicting-ligand binding affinity." Journal of Chemical Information and Modeling 60.3 (2020): 1356-1366.
2. Wang, Jie, et al. "APE: Atomic Property-based Evaluator for ligand-protein binding affinity prediction." Bioinformatics 36.7 (2020): 2205-2212.
3. Chen, Wei, et al. "Improving ligand binding affinity prediction and virtual screening with ligand-based and structure-based ensemble models." Journal of Medicinal Chemistry 63.15 (2020): 8073-8084.
4. Ouyang, Xuchang, et al. "Understanding the Deep Learning Based Protein-Ligand Binding Affinity Prediction Models." Journal of Chemical Information and Modeling 61.1 (2021): 575-586.
5. Ren, Yuhui, et al. "A new scoring function and its application in protein-ligand binding affinity prediction." Journal of Chemical Information and Modeling 60.12 (2020): 6193-6204.
这些文献提供了一些新的方法和模型来评价化合物的生物活性或预测化合物与蛋白质之间的结合亲和力。这些新的方法和模型可以为药物发现和设计提供更高效和准确的工具。