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A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization

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What this work says

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

inferredcites →https://doi.org/10.1002/9783527613083openalex-snapshot

Virtual Screening for Bioactive Molecules

inferredcites →https://doi.org/10.1002/anie.199522801openalex-snapshot

Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm

inferredcites →https://doi.org/10.1002/anie.199522821openalex-snapshot

Mechanism of the Fe+ Mediated CC and CH Bond Activations in Ethane from a Theoretical Viewpoint

inferredcites →https://doi.org/10.1007/bf00124503openalex-snapshot

Evolutionary algorithms in computer-aided molecular design

inferredcites →https://doi.org/10.1007/bf01718702openalex-snapshot

Optimization and visualization of molecular diversity of combinatorial libraries

inferredcites →https://doi.org/10.1016/0040-4020(95)00467-mopenalex-snapshot

Combinatorial synthesis — the design of compound libraries and their application to drug discovery

inferredcites →https://doi.org/10.1016/s0169-7439(99)00009-xopenalex-snapshot

Screening combinatorial libraries

inferredcites →https://doi.org/10.1016/s1056-8719(00)00111-8openalex-snapshot

Genomics and proteomics

inferredcites →https://doi.org/10.1016/s1093-3263(01)00150-4openalex-snapshot

Designing focused libraries using MoSELECT

inferredcites →https://doi.org/10.1016/s1359-6446(00)01516-6openalex-snapshot

The in silico world of virtual libraries

inferredcites →https://doi.org/10.1021/ci00024a003openalex-snapshot

Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm

inferredcites →https://doi.org/10.1021/ci00024a021openalex-snapshot

Using a Genetic Algorithm To Suggest Combinatorial Libraries

inferredcites →https://doi.org/10.1021/ci950168hopenalex-snapshot

Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds

inferredcites →https://doi.org/10.1021/ci960156bopenalex-snapshot

On the Use of Information Theory for Assessing Molecular Diversity

inferredcites →https://doi.org/10.1021/ci960471yopenalex-snapshot

Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach

inferredcites →https://doi.org/10.1021/ci970420gopenalex-snapshot

The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries

inferredcites →https://doi.org/10.1021/ci980332bopenalex-snapshot

Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties

inferredcites →https://doi.org/10.1021/ci990261wopenalex-snapshot

Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries

inferredcites →https://doi.org/10.1021/jm00035a001openalex-snapshot

Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries

inferredcites →https://doi.org/10.1021/jm00036a001openalex-snapshot

Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions

inferredcites →https://doi.org/10.1023/a:1020837112154openalex-snapshot

Multiobjective optimization of combinatorial libraries

inferredcites →https://doi.org/10.1038/nrd791openalex-snapshot

Combinatorial informatics in the post-genomics era

inferredcites →https://doi.org/10.1080/00224065.1980.11980968openalex-snapshot

Simultaneous Optimization of Several Response Variables

inferredcites →https://doi.org/10.1146/annurev.pharmtox.40.1.177openalex-snapshot

Drug Discovery in the Next Millennium

inferredcites →https://doi.org/10.1146/annurev.pharmtox.40.1.193openalex-snapshot

The Impact of Genomics on Drug Discovery

inferredcites →https://doi.org/10.2307/2334826openalex-snapshot

Theory of Optimal Experiments.

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527677016.ch15openalex-snapshot

Fragment‐Based Design of Focused Compound Libraries

inferred← citeshttps://doi.org/10.1002/chin.200532214openalex-snapshot

A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization.

inferred← citeshttps://doi.org/10.1002/wcms.33openalex-snapshot

Diversity selection algorithms

inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot

Library Design: Reactant and Product-Based Approaches

inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02568-3openalex-snapshot

Library Design: Reactant and Product-Based Approaches

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New directions in library design and analysis

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Evolving molecules using multi-objective optimization: applying to ADME/Tox

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From flamingo dance to (desirable) drug discovery: a nature-inspired approach

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Knowledge and Intelligence in Drug Design

inferred← citeshttps://doi.org/10.1021/ci8001205openalex-snapshot

Identification of Hits and Lead Structure Candidates with Limited Resources by Adaptive Optimization

inferred← citeshttps://doi.org/10.1021/ci900287popenalex-snapshot

LoFT: Similarity-Driven Multiobjective Focused Library Design

inferred← citeshttps://doi.org/10.1021/ci9003305openalex-snapshot

GARLig: A Fully Automated Tool for Subset Selection of Large Fragment Spaces via a Self-Adaptive Genetic Algorithm

inferred← citeshttps://doi.org/10.1021/cn100008copenalex-snapshot

Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties

inferred← citeshttps://doi.org/10.1038/nchem.1243openalex-snapshot

Quantifying the chemical beauty of drugs

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How Desirable Are Your IC50s?: A Way to Enhance Screening-Based Decision Making

inferred← citeshttps://doi.org/10.1517/17460441.2011.588696openalex-snapshot

Strategies of multi-objective optimization in drug discovery and development

inferred← citeshttps://doi.org/10.2174/138620711795767866openalex-snapshot

Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery

inferred← citeshttps://doi.org/10.5281/zenodo.2555798openalex-snapshot

Molecular Optimization Using Computational Multi-Objective Methods

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