PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization
Silong Zhai, Yahong Tan, Cheng Zhu, Chengyun Zhang, Yan Gao, Qingyi Mao, Youming Zhang, Hongliang Duan, Yizhen Yin
Topics & Concepts
ChemistrySelection (genetic algorithm)PeptideDeep learningCombinatorial chemistryArtificial intelligenceComputational biologyBiochemistryComputer scienceBiologyComputational Drug Discovery MethodsMachine Learning in Bioinformaticsvaccines and immunoinformatics approaches