Efficient enumeration-selection computational strategy for adaptive chemistry

Abstract Design problems of finding efficient patterns, adaptation of complex molecules to external environments, affinity of molecules to specific targets, dynamic adaptive behavior of chemical systems, reconstruction of 3D structures from diffraction data are examples of difficult to solve optimal...

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Bibliographic Details
Main Authors: Yachong Guo, Marco Werner, Vladimir A. Baulin
Format: Article
Language:English
Published: Nature Portfolio 2022-08-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-17938-x