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Chemical Similarity Networks for Drug Discovery

https://doi.org/10.5772/65106
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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/(issn)1521-3773aopenalex-snapshot
Angewandte Chemie International Edition in English
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1002/3527607676openalex-snapshot
Molecular Interaction Fields
inferredcites →https://doi.org/10.1002/9780470567647openalex-snapshot
Statistical Bioinformatics
inferredcites →https://doi.org/10.1002/biot.200790106openalex-snapshot
Biotech History: Yew trees, paclitaxel synthesis and fungi
inferredcites →https://doi.org/10.1002/cem.866openalex-snapshot
Handbook of chemoinformatics: from data to knowledge, edited by Johann Gasteiger, Volumes 1–4. Wiley‐VCH, Weinheim, 2003, ISBN 3527306803, €485
inferredcites →https://doi.org/10.1002/jms.1804openalex-snapshot
Competitive mass spectrometry binding assay for characterization of three binding sites of tubulin
inferredcites →https://doi.org/10.1007/280.1432-0843openalex-snapshot
Cancer Chemotherapy and Pharmacology
inferredcites →https://doi.org/10.1007/978-0-387-88146-1openalex-snapshot
Statistical Analysis of Network Data: Methods and Models
inferredcites →https://doi.org/10.1007/978-3-642-32278-5openalex-snapshot
Graphs, Networks and Algorithms
inferredcites →https://doi.org/10.1007/s002800050695openalex-snapshot
GS-164, a small synthetic compound, stimulates tubulin polymerization by a similar mechanism to that of Taxol
inferredcites →https://doi.org/10.1016/j.drudis.2010.10.003openalex-snapshot
PubChem as a public resource for drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2011.10.024openalex-snapshot
Classification of scaffold-hopping approaches
inferredcites →https://doi.org/10.1016/j.jmgm.2008.04.003openalex-snapshot
Pharao: Pharmacophore alignment and optimization
inferredcites →https://doi.org/10.1016/j.jmgm.2014.10.006openalex-snapshot
3D-MoRSE descriptors explained
inferredcites →https://doi.org/10.1016/s0958-1669(99)00059-2openalex-snapshot
Chemoinformatics – similarity and diversity in chemical libraries
inferredcites →https://doi.org/10.1016/s1074-5521(00)00101-0openalex-snapshot
Dissecting cellular processes using small molecules: identification of colchicine-like, taxol-like and other small molecules that perturb mitosis
inferredcites →https://doi.org/10.1021/acschembio.6b00253openalex-snapshot
3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping
inferredcites →https://doi.org/10.1021/ci0155053openalex-snapshot
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies
inferredcites →https://doi.org/10.1021/ci300601qopenalex-snapshot
Enhancing Molecular Shape Comparison by Weighted Gaussian Functions
inferredcites →https://doi.org/10.1021/jm300687eopenalex-snapshot
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
inferredcites →https://doi.org/10.1021/jm401411zopenalex-snapshot
Molecular Similarity in Medicinal Chemistry
inferredcites →https://doi.org/10.1038/75556openalex-snapshot
Gene Ontology: tool for the unification of biology
inferredcites →https://doi.org/10.1038/82360openalex-snapshot
A network of protein–protein interactions in yeast
inferredcites →https://doi.org/10.1038/cddis.2014.420openalex-snapshot
Chemical dissection of the cell cycle: probes for cell biology and anti-cancer drug development
inferredcites →https://doi.org/10.1038/nature11159openalex-snapshot
Large-scale prediction and testing of drug activity on side-effect targets
inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot
Relating protein pharmacology by ligand chemistry
inferredcites →https://doi.org/10.1093/bioinformatics/btn187openalex-snapshot
BLASTing small molecules—statistics and extreme statistics of chemical similarity scores
inferredcites →https://doi.org/10.1093/nar/gkj067openalex-snapshot
DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1093/nar/gkq300openalex-snapshot
PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1201/9781420082999openalex-snapshot
Handbook of Chemoinformatics Algorithms
inferredcites →https://doi.org/10.1371/journal.pcbi.1004153openalex-snapshot
Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens
inferredcites →https://doi.org/10.1371/journal.pntd.0004300openalex-snapshot
A Multilayer Network Approach for Guiding Drug Repositioning in Neglected Diseases
inferredcites →https://doi.org/10.2174/1389450116666151102095555openalex-snapshot
Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources
inferredcites →https://doi.org/10.3390/ijmsopenalex-snapshot
International Journal of Molecular Sciences
inferredcites →https://doi.org/10.3390/ijms17050632openalex-snapshot
Advantages and Pitfalls of Mass Spectrometry Based Metabolome Profiling in Systems Biology
inferredcites →https://doi.org/10.5772/65106openalex-snapshot
Chemical Similarity Networks for Drug Discovery

What points at this work

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

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Aufdeckung von Arzneimittelrisiken nach der Zulassung
inferred← citeshttps://doi.org/10.1016/j.chaos.2024.115126openalex-snapshot
LMFLS: A new fast local multi-factor node scoring and label selection-based algorithm for community detection
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2021.107529openalex-snapshot
Ensembling machine learning models to boost molecular affinity prediction
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2020.103811openalex-snapshot
Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds
inferred← citeshttps://doi.org/10.1016/j.fraope.2024.100106openalex-snapshot
BARTReact: SELFIES-driven precision in reaction modeling
inferred← citeshttps://doi.org/10.1021/acssuschemeng.0c02211openalex-snapshot
Application of Life Cycle Assessment and Machine Learning for High-Throughput Screening of Green Chemical Substitutes
inferred← citeshttps://doi.org/10.1080/07391102.2025.2507812openalex-snapshot
Targeting TetR-family transcription regulators for combating tetracycline resistance in resilient Acinetobacter baumannii: in silico identification of potent inhibitors
inferred← citeshttps://doi.org/10.1155/2024/9985719openalex-snapshot
In Silico Identification of a Potential TNF-Alpha Binder Using a Structural Similarity: A Potential Drug Repurposing Approach to the Management of Alzheimer’s Disease
inferred← citeshttps://doi.org/10.1609/aaai.v37i7.26000openalex-snapshot
Learning Topology-Specific Experts for Molecular Property Prediction
inferred← citeshttps://doi.org/10.3389/fphar.2022.837715openalex-snapshot
Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design
inferred← citeshttps://doi.org/10.3390/metabo14020093openalex-snapshot
Metabolic Connectome and Its Role in the Prediction, Diagnosis, and Treatment of Complex Diseases
inferred← citeshttps://doi.org/10.3892/or.2022.8403openalex-snapshot
In vitro characterization and rational analog design of a novel inhibitor of telomerase assembly in MDA MB 231 breast cancer cell line
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