… and could be viewed as synergistic with human intelligence, that is, a domain-specific … in
drug design and selection. More ambitiously, the ultimate challenge for drug design with AI is to …

… of artificial intelligence in the field of property or activity prediction, de novo design and …
systems has been largely increased over recent years, now also comprising de novo design or …

… , machine learning and artificial intelligence approaches play an increasingly important role
in rational drug design, … role of machine learning and artificial intelligence approaches in …

… design. Nevertheless, extravagant claims have been made for the ability of Artificial Intelligence
(AI) to accelerate the design … on whether novel artificial intelligence methods contribute …

… the representative applications in small molecule drug design; and briefly introduced how
DL … how they were used in DL applications for small molecule drug design and development. …

… drugs is rapidly growing due to advances in machine learning (ML) and artificial intelligence
… This review covers myriad faces of AI and ML in drug design. There is a plethora of AI …

… drugs. These AI and ML methods are applied in every step of the computer-aided drug design,
and … drug design, along with its challenge and opportunity for the pharmaceutical industry. …

… use of artificial intelligence (AI) systems in drug design. Neural … run SciPy or NumPy packages
included in drug design tools. … recent developments in the field of drug design based on AI. …

… drug design approaches such as structure-and ligand-based, augmented and multi-objective
de novo drug design… , ADMET, pharmacokinetics and drug-target residence time, precision …

… Machine learning (ML) is becoming capable of transforming biomolecular interaction
description and calculation, promising an impact on molecular and drug design, chemical biology, …