بدائل البحث:
method optimization » lead optimization (توسيع البحث), path optimization (توسيع البحث), feature optimization (توسيع البحث)
all optimization » art optimization (توسيع البحث), ai optimization (توسيع البحث), whale optimization (توسيع البحث)
library based » laboratory based (توسيع البحث)
based method » based methods (توسيع البحث)
genes based » gene based (توسيع البحث), lens based (توسيع البحث)
based all » based small (توسيع البحث), based cell (توسيع البحث), based ap (توسيع البحث)
method optimization » lead optimization (توسيع البحث), path optimization (توسيع البحث), feature optimization (توسيع البحث)
all optimization » art optimization (توسيع البحث), ai optimization (توسيع البحث), whale optimization (توسيع البحث)
library based » laboratory based (توسيع البحث)
based method » based methods (توسيع البحث)
genes based » gene based (توسيع البحث), lens based (توسيع البحث)
based all » based small (توسيع البحث), based cell (توسيع البحث), based ap (توسيع البحث)
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<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization
منشور في 2020"…In the present study, we conceived a novel pair-based multiobjective approach implemented in an adapted SMILES generative algorithm based on recurrent neural networks for the automated <i>de novo</i> design of new molecules whose overall features are optimized by finding the best trade-offs among relevant physicochemical properties (MW, logP, HBA, HBD) and additional similarity-based constraints biasing specific biological targets. …"
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A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters
منشور في 2023"…The Fortran implementation of the algorithm is available as an open source library (https://github.com/qcuaeh/molalignlib) and is suitable to be used in global optimization methods for the identification of local minima or basins.…"
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