… in this context to solve complex molecular design problems as a series of relatively easier
… comprehensive molecular design framework using novel optimization methods for molecule …

… in the field of chemical product design using computer-aided molecular design (CAMD)
tools are highlighted. With the gaining of focus on the design of novel and improved chemical …

Theoretical chemistry, as implemented on fast computers, is beginning to yield accurate
predictions of the thermodynamic and kinetic properties of large molecular assemblies. In …

… This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …

… A full understanding of molecular recognition presents a problem of intense … computer-aided
drug design and molecular sciences in general. The interactions between ligand molecules …

… identified based on the electron density of the X-ray experiment alone [23, 24]. The program
Reduce [23] is called automatically from PyMOL to analyze the hydrogen bond network of …

… together may be called computer aided product design (CAPD). … molecular design as well
as mixture/blend design. Likewise, the term product will be used to include single molecules …

… This paper presents an overview of the recent developments in the area of solvent design
using computer-aided molecular design (CAMD) tools. Effective CAMD approaches are based …

… designing molecular products. A systematic analysis framework is presented for transforming
a class of optimal computer-aided molecular design … for the best molecular design with …

… out through a group contribution molecular design of solvents (MOLDES) approach. A set of
submolecular groups (UNIFAC) is used for the synthesis of molecular structures with desired …