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Small-World Phenomena in Chemical Library Networks: Application to Fragment-Based Drug Discovery
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Software: Practice and Experience
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The art and practice of structure-based drug design: A molecular modeling perspective
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Graph drawing by force‐directed placement
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Coverage and bias in chemical library design
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Two ‘Golden Ratio’ indices in fragment-based drug discovery
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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Discovery of Power-Laws in Chemical Space
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Fragment-Based Drug Discovery: A Practical Approach
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Recent Developments in Fragment-Based Drug Discovery
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The large-scale organization of metabolic networks
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A decade of fragment-based drug design: strategic advances and lessons learned
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Classes of small-world networks
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Power laws, Pareto distributions and Zipf's law
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A new look at the statistical model identification
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Emergence of Scaling in Random Networks
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Modeling the Internet and the Web
inferredcites →https://doi.org/10.2174/156802607782341082openalex-snapshot
Fragment-Based Drug Discovery: What has it Achieved so Far?
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Electron Density and Molecular Similarity
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Expedited SARS‐CoV‐2 Main Protease Inhibitor Discovery through Modular ‘Direct‐to‐Biology’ Screening
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Expedited SARS‐CoV‐2 Main Protease Inhibitor Discovery through Modular ‘Direct‐to‐Biology’ Screening
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ChemInform Abstract: Small‐World Phenomena in Chemical Library Networks: Application to Fragment‐Based Drug Discovery.
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Activity Cliff Networks for Medicinal Chemistry
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Network Measures for Chemical Library Design
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Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update
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Network‐based Approaches in Pharmacology
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Computational Fragment-Based Drug Design
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Network Measures and Spectral Graph Theory
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Chemical space networks: a powerful new paradigm for the description of chemical space
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Design and characterization of chemical space networks for different compound data sets
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Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity
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Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures
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Design of chemical space networks on the basis of Tversky similarity
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Lessons learned from the design of chemical space networks and opportunities for new applications
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Investigation of chemical space networks using graph measures and random matrix theory
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Structure and dynamics of molecular networks: A novel paradigm of drug discovery
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SCISSORS: A Linear-Algebraical Technique to Rapidly Approximate Chemical Similarities
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Analysis and Study of Molecule Data Sets Using Snowflake Diagrams of Weighted Maximum Common Subgraph Trees
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Exploration of the Topology of Chemical Spaces with Network Measures
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Discovery and optimisation of a covalent ligand for TRIM25 and its application to targeted protein ubiquitination
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Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes
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Structural ensemble in computational drug screening
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Towards Predictive Synthesis of Inorganic Materials Using Network Science
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Optimization of SARS-CoV-2 Mpro Inhibitors by a Structure-Based Multilevel Virtual Screening Method
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Chemical Space Visualization: Transforming Multidimensional Chemical Spaces into Similarity-Based Molecular Networks
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Graphs And Networks In Chemical And Biological Informatics: Past, Present And Future
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