… methods and solution techniques, as well … -based methods and techniques, we survey the
current state-of-the-art applications of deep learning to molecular design as a fertile approach …

… developed for designing and … Computer-aided molecular design (CAMD) approach is a
potential tool for the screening and/or design of fragrance molecules by predicting the molecular …

… applied in drug discovery for the systematic search of novel small molecules with biological
activity usually against a target protein molecule [18]. The backbone of this computational …

… of novel drugs [15], and computer-aided drug design is believed to be an important tool to
achieve the identification of novel … lead molecules against COVID-19 by utilizing natural lead …

… the existing methods for de novo molecular design categorized … forward approach for solving
the de novo molecular design … Such methods formulate the generation of the molecules as …

… methods [65]. Structure-based de novo design method searches novel ligands by using
the 3D structural information of the protein target, which are usually constructed directly in the …

… and use of computer-aided molecular design (CAMD) methods. CAMD, … based strategies
in the rational selection or design of … An integrated computer aided system for generation and …

… of novel methods, such as computer-aided drug repurposing. Similarly we present emerging
concepts and technologies in molecular … of traditional and novel CADD methods to increase …

… (3)The proposal of a genetic algorithm enhanced by a neural network for inverse molecular
design that can avoid convergence and bias molecule generation based on existing data …

… Molecular docking is an in silico method for recognizing the correct binding pose of a …
selecting the best pose generated by each molecule to a rank-order [9]. The docking techniques …