Individual and collective human intelligence in drug design: evaluating the search strategy.

ABSTRACT: In recent years, individual and collective human intelligence, defined as the knowledge, skills, reasoning and intuition of individuals and groups, have been used in combination with computer algorithms to solve complex scientific problems. Such approach was successfully used in different research fields such as: structural biology, comparative genomics, macromolecular crystallography and RNA design. Herein we describe an attempt to use a similar approach in small-molecule drug discovery, specifically to drive search strategies of de novo drug design. This is assessed with a case study that consists of a series of public experiments in which participants had to explore the huge chemical space in silico to find predefined compounds by designing molecules and analyzing the score associate wi

SUBMITTER: Cincilla G 

PROVIDER: S-EPMC8507178 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature