Litcius/Paper detail

Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets

Alexander van Teijlingen, Tell Tuttle

2021Journal of Chemical Theory and Computation46 citationsDOIOpen Access PDF

Abstract

. A major aim of this method is to produce the best results in the least computationally demanding way. This model has been developed to be broadly applicable to other search spaces with minor changes to the algorithm, allowing its use in other areas of research.

Topics & Concepts

Computer scienceSet (abstract data type)TripeptideChemical spaceResolution (logic)Machine learningDrug discoveryArtificial intelligenceAlgorithmChemistryBioinformaticsAmino acidBiologyBiochemistryProgramming languageMachine Learning in BioinformaticsChemical Synthesis and AnalysisRNA and protein synthesis mechanisms