Molecular Sets(MOSES): A Benchmarking Platform for Molecular Generation Models,AI制药领域,分子生成必读文章
MolecularSets,MOSES:ABenchmarkingPlatformforMolecularGenerationModels1研究背景2分子表示方法2.1字符表示2.2分子图表示3评判标准3.1valid&unique3.2Novelty3.3Filters3.4Fragmentsimilarity(Frag)3.5Scaffoldsimilarity(Scaff)3.6Simila