بدائل البحث:
solution optimization » production optimization (توسيع البحث), reaction optimization (توسيع البحث), function optimization (توسيع البحث)
based solution » based solutions (توسيع البحث), based selection (توسيع البحث), based simulation (توسيع البحث)
library based » laboratory based (توسيع البحث)
binary b » binary _ (توسيع البحث)
b global » _ global (توسيع البحث), a global (توسيع البحث)
solution optimization » production optimization (توسيع البحث), reaction optimization (توسيع البحث), function optimization (توسيع البحث)
based solution » based solutions (توسيع البحث), based selection (توسيع البحث), based simulation (توسيع البحث)
library based » laboratory based (توسيع البحث)
binary b » binary _ (توسيع البحث)
b global » _ global (توسيع البحث), a global (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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ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design
منشور في 2023"…In the library, ligands are sorted based on direct ligand-to-metal atomic connections and on denticity. …"
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Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start
منشور في 2025"…In response to these challenges, this work presents a method to fine-tune a genetic algorithm for CAMD. The proposed method builds on the COSMO-CAMD framework that utilizes a genetic algorithm for solving optimization-based molecular design problems and COSMO-RS for predicting physical properties of molecules. …"
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Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start
منشور في 2025"…In response to these challenges, this work presents a method to fine-tune a genetic algorithm for CAMD. The proposed method builds on the COSMO-CAMD framework that utilizes a genetic algorithm for solving optimization-based molecular design problems and COSMO-RS for predicting physical properties of molecules. …"
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SSA4LSMOP
منشور في 2024"…<p dir="ltr">SSA4LSMOP is a multi-objective optimization algorithm library, which aims to provide researchers and developers with efficient and easy-to-use multi-objective optimization solutions. …"
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Process of generating MS/MS spectra from a protein mixture using mass-spectrometry analysis.
منشور في 2021الموضوعات: