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LoFT: Similarity-Driven Multiobjective Focused Library Design

https://doi.org/10.1021/ci900287p
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Combinatorial Library Design Using a Multiobjective Genetic Algorithm
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A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization
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GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties
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Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations
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Chemical Fragment Spaces for de novo Design
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SwiFT: An Index Structure for Reduced Graph Descriptors in Virtual Screening and Clustering
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Managing the Combinatorial Explosion
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The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries
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RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
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Benchmarking Sets for Molecular Docking
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Similarity Searching and Scaffold Hopping in Synthetically Accessible Combinatorial Chemistry Spaces
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Assessment of Additive/Nonadditive Effects in Structure−Activity Relationships: Implications for Iterative Drug Design
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Designing Combinatorial Library Mixtures Using a Genetic Algorithm
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Feature trees: A new molecular similarity measure based on tree matching
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De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks
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Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries
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Similarity searching in large combinatorial chemistry spaces
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Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs
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Multiobjective optimization of combinatorial libraries
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Maximum common subgraph isomorphism algorithms for the matching of chemical structures
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Chemical space and biology
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Perspectives for cancer therapies with cdk2 inhibitors
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Simultaneous Optimization of Several Response Variables
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Combinatorial Chemistry
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Concept of Combinatorial De Novo Design of Drug‐like Molecules by Particle Swarm Optimization
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Optimization by Simulated Annealing
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Exploiting Chemical Libraries, Structure, and Genomics in the Search for Kinase Inhibitors
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Combinatorial Library Design and Evaluation

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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