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 …

This short communication presents a generic mathematical programming formulation for
computer-aided molecular design (CAMD). A given CAMD problem, based on target …

A flexible and structured methodology for the computer‐aided molecular design (CAMD) by
the group contribution approach is presented. The proposed CAMD algorithm takes the …

CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable
properties. That is, through CAMD, one determines molecules that match a specified set of …

In this paper, the significant development, current challenges and future opportunities in the
field of chemical product design using computer-aided molecular design (CAMD) tools are …

A general multi-step approach for setting up, solving and solution analysis of computer
aided molecular design (CAMD) problems is presented. The approach differs from previous …

A detailed implementation of the Tabu search (TS) algorithm for computer-aided molecular
design (CAMD) of transition metal catalysts is presented in this paper. Previous CAMD …

Computer-aided molecular design (CAMD) provides a means for determining molecules or
mixtures of molecules (CAMMD) having a desirable set of physicochemical properties. The …

Chemical product design determines the structure and constitution of products that satisfies
all desired properties and functions. Molecular products are usually employed as the main …

A new framework to automate, augment, and accelerate steps in computer‐aided molecular
design is presented. The problem is tackled in three stages:(1) composition design,(2) …