… Design, System, Application In this review we discuss the use of deep learning techniques
to perform molecular generation and optimization, a new field which has proved to be a fertile …

… of deep learning to inverse molecular design has outpaced decades of theoretical efforts,
bearing promise to transform current molecular design … inverse molecular design and offer our …

… the Computer-Aided Molecular Design (CAMD) problems. A … -the-art applications of deep
learning to molecular design as a … deep generative modeling of molecules under various deep …

… , a complete review of the applications of deep learning in drug discovery would be beyond
… where deep learning has impacted molecular design: the prediction of molecular properties …

… molecular design has increasingly been using generative models from the emergent field of
Deep Learning, … De novo molecular design finds applications in different fields ranging from …

Accurate and reliable prediction of the optical and photophysical properties of organic compounds
is important in various research fields. Here, we developed deep learning (DL) optical …

… With these improved algorithms, numerous DL-based models have been successfully used
in goal-directed molecular design, and novel active molecules were successfully identified …

… molecular generation and optimization. In this review, we discussed recent development of
deep learning models for molecular … Computational de novo molecular design is, in theory, …

… inverse design model based on a deep encoder-… design: hidden knowledge for molecular
design is extracted from a given molecular database in a fully data-driven manner using deep-…

… The proposed probabilistic energy-based deep learning … molecular design approach by
generating several molecular … for automated molecular design, thus accentuating its utility. …