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A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Generation and Display of Activity‐Weighted Chemical Hyperstructures.
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SPROUT: A program for structure generation
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Automatic creation of drug candidate structures based on receptor structure. Starting point for artificial lead generation.
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Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm
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Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval
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ARTS: a flexible laboratory instrument control language
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Generation and Display of Activity-Weighted Chemical Hyperstructures
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Optimizing the Size and Configuration of Combinatorial Libraries
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Designing Molecules with Specific Properties from Intercommunicating Hybrid Systems
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Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method
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A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm
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Molecular Evolution: Automated Manipulation of Hierarchical Chemical Topology and Its Application to Average Molecular Structures
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Genetic algorithm for the design of molecules with desired properties
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Automatic molecular design using evolutionary techniques
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Multiobjective optimization of combinatorial libraries
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Genetic Algorithms for the Discovery of Homogeneous Catalysts
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Multi- and Many-Objective Optimisation: Present and Future in de novo Drug Design
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Individual & Collective Human Intelligence in Drug Design: Evaluating the Search Strategy
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Evolutionary Computation for Multifaceted Web Service Composition
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Hierarchical Representation Based Constrained Multi-objective Evolutionary Optimisation of Molecular Structures
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De novo drug design through artificial intelligence: an introduction
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Molecular Conditional Generation and Property Analysis of Non-Fullerene Acceptors with Deep Learning
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Design of SARS-CoV-2 Main Protease Inhibitors Using Artificial Intelligence and Molecular Dynamic Simulations
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Artificial Intelligence in Drug Discovery
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Guiding Deep Molecular Optimization with Genetic Exploration
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Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
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Designing natural product-like virtual libraries using deep molecule generative models
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Advances in Machine Learning-Based Design of Organic Fluorescent Theranostic Molecules★
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Additional file 1 of CReM: chemically reasonable mutations framework for structure generation
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Additional file 1 of Using GANs with adaptive training data to search for new molecules
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Additional file 1 of MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES
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Additional file 1 of Individual and collective human intelligence in drug design: evaluating the search strategy
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Additional file 1 of Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
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Chemical space exploration: how genetic algorithms find the needle in the haystack
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