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Exhaustive sampling of the fragment space associated to a molecule leading to the generation of conserved fragments

https://doi.org/10.1111/cbdd.13129
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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/cmdc.200800178openalex-snapshot
On the Art of Compiling and Using 'Drug‐Like' Chemical Fragment Spaces
inferredcites →https://doi.org/10.1002/cmdc.201200554openalex-snapshot
A Combined Bioinformatics and Chemoinformatics Approach for Developing Asymmetric Bivalent AMPA Receptor Positive Allosteric Modulators as Neuroprotective Agents
inferredcites →https://doi.org/10.1007/128_2011_180openalex-snapshot
Introduction to Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1007/s10822-009-9292-1openalex-snapshot
Fragment-based drug discovery
inferredcites →https://doi.org/10.1016/j.chembiol.2008.02.015openalex-snapshot
Structure-Based Dissection of the Natural Product Cyclopentapeptide Chitinase Inhibitor Argifin
inferredcites →https://doi.org/10.1016/j.chembiol.2012.08.015openalex-snapshot
Dissecting Fragment-Based Lead Discovery at the von Hippel-Lindau Protein:Hypoxia Inducible Factor 1α Protein-Protein Interface
inferredcites →https://doi.org/10.1016/j.drudis.2014.09.015openalex-snapshot
Evolutions in fragment-based drug design: the deconstruction–reconstruction approach
inferredcites →https://doi.org/10.1016/s1359-6446(03)02831-9openalex-snapshot
A ‘Rule of Three’ for fragment-based lead discovery?
inferredcites →https://doi.org/10.1016/s1359-6446(04)03069-7openalex-snapshot
Ligand efficiency: a useful metric for lead selection
inferredcites →https://doi.org/10.1021/acs.jcim.5b00073openalex-snapshot
MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation
inferredcites →https://doi.org/10.1021/bi3005126openalex-snapshot
Fragment-Based Approaches in Drug Discovery and Chemical Biology
inferredcites →https://doi.org/10.1021/ci000403iopenalex-snapshot
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
inferredcites →https://doi.org/10.1021/ci400731wopenalex-snapshot
Fragment-Based Lead Discovery and Design
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/jm040031vopenalex-snapshot
Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1021/jm060511hopenalex-snapshot
Fragment-Based Drug Design: How Big Is Too Big?
inferredcites →https://doi.org/10.1021/jm8000373openalex-snapshot
Recent Developments in Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1038/nature09454openalex-snapshot
Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma
inferredcites →https://doi.org/10.1038/nrd2220openalex-snapshot
A decade of fragment-based drug design: strategic advances and lessons learned
inferredcites →https://doi.org/10.1039/b610069bopenalex-snapshot
Fragment screening: an introduction
inferredcites →https://doi.org/10.1073/pnas.1501567112openalex-snapshot
Ligand deconstruction: Why some fragment binding positions are conserved and others are not
inferredcites →https://doi.org/10.1093/bioinformatics/btu173openalex-snapshot
molBLOCKS: decomposing small molecule sets and uncovering enriched fragments
inferredcites →https://doi.org/10.1093/nar/gkp456openalex-snapshot
PubChem: a public information system for analyzing bioactivities of small molecules
inferredcites →https://doi.org/10.1093/nar/gkq1126openalex-snapshot
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1111/cbdd.13129openalex-snapshot
Exhaustive sampling of the fragment space associated to a molecule leading to the generation of conserved fragments
inferredcites →https://doi.org/10.4155/fmc.14.8openalex-snapshot
The Chembl Database: A Taster for Medicinal Chemists

What points at this work

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

inferred← citeshttps://doi.org/10.1002/cmdc.202300202openalex-snapshot
r‐BRICS – A Revised BRICS Module That Breaks Ring Structures and Carbon Chains
inferred← citeshttps://doi.org/10.1007/s11030-022-10506-5openalex-snapshot
Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite
inferred← citeshttps://doi.org/10.1016/j.pscia.2025.100100openalex-snapshot
Convergence of computer-aided drug discovery and artificial intelligence: Towards next-generation therapeutics
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00469openalex-snapshot
LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01096openalex-snapshot
Expanding Bioactive Fragment Space with the Generated Database GDB-13s
inferred← citeshttps://doi.org/10.1039/d5md00673bopenalex-snapshot
Discovery of RNA-binding fragments using biolayer interferometry
inferred← citeshttps://doi.org/10.1093/bioinformatics/btad012openalex-snapshot
MacFrag: segmenting large-scale molecules to obtain diverse fragments with high qualities
inferred← citeshttps://doi.org/10.1186/s13321-026-01239-wopenalex-snapshot
CRUSH—Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-n48g3openalex-snapshot
Expanding Bioactive Fragment Space with the Generated Database GDB-13s
inferred← citeshttps://doi.org/10.26434/chemrxiv.14473980openalex-snapshot
Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design
inferred← citeshttps://doi.org/10.26434/chemrxiv.14473980.v1openalex-snapshot
Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design
inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-57sv1-v2openalex-snapshot
Lib-INVENT: Reaction Based Generative Scaffold Decoration for in silico Library Design
inferred← citeshttps://doi.org/10.3390/biophysica3020024openalex-snapshot
Decomposition of Small Molecules for Fragment-Based Drug Design
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