Artificial Intelligence in Drug Design

Drug Design , Artificial Intelligence Methods in

Ant colony optimization Ant colony optimization 15 (ACO) is an agent-based algorithm procedure in16 spired by the function of ant colonies and their search 17 for the optimum path to food sources. The virtual 18 agents are called artificial ants or ants, and the opti19 mization problem is represented as a trail-and-error 20 search for the optimum path on a weighted graph. The 21 pheromone that ...

Artificial intelligence approaches for rational drug design and discovery.

Pattern recognition, machine learning and artificial intelligence approaches play an increasingly important role in rational drug design, screening and identification of candidate molecules and studies on quantitative structure-activity relationships (QSAR). In this review, we present an overview of basic concepts and methodology in the fields of machine learning and artificial intelligence (AI...

Artificial Intelligence in Process Design

Conceptual Design and Artificial Intelligence

This paper introduces new approaches to the conceptual design of electro-mechanical systems from qualitative specifications of behaviour and function. The power of these methods stems from the integration of techniques in qualitative physics, symbolic mathematics , computational geometry and constraint programming. This is illustrated with an effective kinematic synthesis method that integrates...

Artificial Intelligence and Marine Design

grown in exploring AI approaches to design problems, both because of the enormous potential impact on productivity of improved design tools and because of the interesting basic AI issues that these problems raise. In particular, a number of ship designers and AI researchers recently became interested in applying AI to the hydrodynamic design of ship hulls. A typical problem here is to design th...