بدائل البحث:
iterative optimization » objective optimization (توسيع البحث)
function optimization » reaction optimization (توسيع البحث), formulation optimization (توسيع البحث), generation optimization (توسيع البحث)
library based » laboratory based (توسيع البحث)
iterative optimization » objective optimization (توسيع البحث)
function optimization » reaction optimization (توسيع البحث), formulation optimization (توسيع البحث), generation optimization (توسيع البحث)
library based » laboratory based (توسيع البحث)
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A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters
منشور في 2023"…We present an improved algorithm to solve the near-congruence problem for rigid molecules and clusters based on the iterative application of assignment and alignment steps with biased Euclidean costs. …"
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RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms
منشور في 2025"…The Rosetta automated Monte Carlo reaction-based ligand design (RosettaAMRLD) integrates a Monte Carlo Metropolis (MCM) algorithm and reaction-driven molecule proposal to enhance structure-based <i>de novo</i> drug discovery. …"
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