Computer-aided drug design (CADD) shift toward using quantum-mechanics (QM)-based approaches is not only the result of the ever growing computational power but also due to the need for more accurate and more informative approaches to describe molecular properties and binding characteristics than the currently available ones. QM-approaches do not suffer from the limitations inherent to the ball-...

Computer-Aided Declarative Design systems are focused at the early phase of design, the conceptual phase, employing declarative modelling in order to provide the user with tools and techniques aiming to capture his/her intuition and better expression of his/her mental ideas. In this paper, we argue that within this process, the introduction of the notion of concept could assist the description ...

A thorough analysis of the system model for complex-valued optical double-sideband (DSB) transmission with carrier-assisted differential detection (CADD) receiver under influence laser phase noise and fiber chromatic dispersion (CD) is presented. It shown that interaction CD leads to phenomenon phase-to-amplitude (P2A) equalization-enhanced (EEPN). The achievable performance DSB CADD EEPN P2A e...

Due to the increased disease occurrence rates in humans, need for Automated Disease Diagnosis (ADD) systems is also raised. Most of ADD are proposed support doctor during screening and decision making process. This research aims at developing a Computer Aided (CADD) scheme categorize brain tumour 2D MRI slices into Glioblastoma/Glioma class with better accuracy. The main contribution this work ...

92 Published By: Blue Eyes Intelligence Engineering & Sciences Publication Pvt. Ltd.  Abstract— Genetic algorithms, can be used to solve NP-hard problems in various domains, including computer-aided drug design (CADD). As design & development of a drug molecule takes a number of man years and is also an expensive process, use of computer-aided techniques could help to reduce the time required ...

In the field of pharmaceutical sciences, the drug discovery is an interdisciplinary approach by which new potential drug candidates are discovered. Traditionally, new drug molecules were discovered through identifying the active principles from natural sources or by serendipitous discovery. But it was time consuming and expensive. As a result, in the last few years there has been a technologica...

A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecules for the same target protein. This study aimed at using multiple CADD methods through open innovation to achieve a level of hit molecule diversity that is not achievable with any particu...