Ontology highlight
ABSTRACT:
SUBMITTER: Liu K
PROVIDER: S-EPMC6678642 | biostudies-literature | 2019 Jul
REPOSITORIES: biostudies-literature
International journal of molecular sciences 20190710 14
Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or fingerprints. Following the recent success of neural networks, we developed Chemi-Net, a completely data-driven, domain knowledge-free, deep learning method for ADME property prediction. To compare the relative performance of Chemi-Net with Cubist, one of the popular mach ...[more]