On the public citation graph

Calculating Similarities between Biological Activities in the MDL Drug Data Report Database

0 signed · 60 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1097-4571(199009)41:6<391::aid-asi1>3.0.co;2-9openalex-snapshot
Indexing by latent semantic analysis
inferredcites →https://doi.org/10.1007/bf00126749openalex-snapshot
Extending the trend vector: The trend matrix and sample-based partial least squares
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci00046a003openalex-snapshot
Computer code for producing Eh-pH plots of equilibrium chemical systems
inferredcites →https://doi.org/10.1021/ci00054a008openalex-snapshot
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors
inferredcites →https://doi.org/10.1021/ci010385kopenalex-snapshot
An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design
inferredcites →https://doi.org/10.1021/ci025587aopenalex-snapshot
Text Influenced Molecular Indexing (TIMI): A Literature Database Mining Approach that Handles Text and Chemistry
inferredcites →https://doi.org/10.1021/ci030004yopenalex-snapshot
Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci960373copenalex-snapshot
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
inferredcites →https://doi.org/10.1021/ci980044fopenalex-snapshot
A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules
inferredcites →https://doi.org/10.1021/ci9803381openalex-snapshot
Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
inferredcites →https://doi.org/10.1080/01638539809545028openalex-snapshot
An introduction to latent semantic analysis

What points at this work

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

inferred← citeshttps://doi.org/10.1002/bip.20213openalex-snapshot
Design, synthesis, and application of azabicyclo[X.Y.0]alkanone amino acids as constrained dipeptide surrogates and peptide mimics
inferred← citeshttps://doi.org/10.1002/chin.200426194openalex-snapshot
Calculating Similarities Between Biological Activities in the MDL Drug Data Report Database.
inferred← citeshttps://doi.org/10.1002/cmdc.200800025openalex-snapshot
Isoquinolin‐1‐one Inhibitors of the MDM2–p53 Interaction
inferred← citeshttps://doi.org/10.1002/jmr.2898openalex-snapshot
Understanding the binding conformation of ceftolozane/tazobactam with Metallo‐β‐lactamases VIM ‐5 and IMP ‐7 of Pseudomonas aeruginosa : A molecular docking and virtual screening process
inferred← citeshttps://doi.org/10.1002/qsar.200510120openalex-snapshot
Current Status of Virtual Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/qsar.200610097openalex-snapshot
Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
inferred← citeshttps://doi.org/10.1007/978-1-4939-9145-7_6openalex-snapshot
In Silico Drug–Target Profiling
inferred← citeshttps://doi.org/10.1007/978-3-642-19615-7_16openalex-snapshot
Virtual screening by molecular docking
inferred← citeshttps://doi.org/10.1007/978-3-642-38610-7_28openalex-snapshot
A Comparison of Dimensionality Reduction Techniques in Virtual Screening
inferred← citeshttps://doi.org/10.1007/s11030-006-9041-5openalex-snapshot
Cheminformatics analysis and learning in a data pipelining environment
inferred← citeshttps://doi.org/10.1007/s11030-010-9225-xopenalex-snapshot
On the industrial applications of MCRs: molecular diversity in drug discovery and generic drug synthesis
inferred← citeshttps://doi.org/10.1007/s11426-007-0056-2openalex-snapshot
Constructing virtual combinatorial fragment libraries based upon MDL Drug Data Report database
inferred← citeshttps://doi.org/10.1007/s11886-021-01484-5openalex-snapshot
Drug Repurposing: Claiming the Full Benefit from Drug Development
inferred← citeshttps://doi.org/10.1007/s12247-026-10731-7openalex-snapshot
Integrative AI and Molecular Simulation Reveal Andrograpanin as a Potent Dual Inhibitor of EYA1 and TFAP2A in Triple-Negative Breast Cancer
inferred← citeshttps://doi.org/10.1016/j.bcp.2022.115301openalex-snapshot
Recent trends in fragment-based anticancer drug design strategies against different targets: A mini-review
inferred← citeshttps://doi.org/10.1016/j.cbpa.2006.06.022openalex-snapshot
Streamlining lead discovery by aligning in silico and high-throughput screening
inferred← citeshttps://doi.org/10.1016/j.chembiol.2003.10.011openalex-snapshot
Structure-Based Discovery of Potassium Channel Blockers from Natural Products
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.008openalex-snapshot
In silico target fishing: Predicting biological targets from chemical structure
inferred← citeshttps://doi.org/10.1016/j.drudis.2012.02.013openalex-snapshot
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation
inferred← citeshttps://doi.org/10.1016/j.jare.2023.07.005openalex-snapshot
Novel hydroxamic acid derivative induces apoptosis and constrains autophagy in leukemic cells
inferred← citeshttps://doi.org/10.1016/j.jmgm.2005.09.013openalex-snapshot
Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials
inferred← citeshttps://doi.org/10.1016/j.taap.2008.05.007openalex-snapshot
Toxicological relationships between proteins obtained from protein target predictions of large toxicity databases
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c01353openalex-snapshot
Unlocking the Reverse Targeting Mechanisms of Cannabidiol: Unveiling New Therapeutic Avenues
inferred← citeshttps://doi.org/10.1021/ci0496144openalex-snapshot
Analysis of Data Fusion Methods in Virtual Screening: Similarity and Group Fusion
inferred← citeshttps://doi.org/10.1021/ci049615wopenalex-snapshot
Analysis of Data Fusion Methods in Virtual Screening: Theoretical Model
inferred← citeshttps://doi.org/10.1038/aps.2008.22openalex-snapshot
ScafBank: a public comprehensive Scaffold database to support molecular hopping
inferred← citeshttps://doi.org/10.1038/s41598-017-11194-0openalex-snapshot
Novel selective, potent naphthyl TRPM8 antagonists identified through a combined ligand- and structure-based virtual screening approach
inferred← citeshttps://doi.org/10.1039/9781847558879-00182openalex-snapshot
Probabilistic Approaches in Activity Prediction
inferred← citeshttps://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferred← citeshttps://doi.org/10.1080/08927020500134177openalex-snapshot
Ligand-based virtual screening using binary kernel discrimination
inferred← citeshttps://doi.org/10.1080/1062936x.2026.2631015openalex-snapshot
Molecular docking and dynamics simulations identify marine sponge–derived Halenaquinone as a promising STAT4 modulator for rheumatic heart disease
inferred← citeshttps://doi.org/10.1080/14756366.2021.1928111openalex-snapshot
Novel mutual prodrug of 5-fluorouracil and heme oxygenase-1 inhibitor (5-FU/HO-1 hybrid): design and preliminary in vitro evaluation
inferred← citeshttps://doi.org/10.1093/nar/gkq957openalex-snapshot
VnD: a structure-centric database of disease-related SNPs and drugs
inferred← citeshttps://doi.org/10.1101/2020.04.24.059626openalex-snapshot
In-silico studies of Riparin B in the design of drugs: Physicochemical, pharmacokinetic and pharmacodynamic parameters
inferred← citeshttps://doi.org/10.1109/icacte.2008.113openalex-snapshot
Inference Networks for Chemical Similarity Searching
inferred← citeshttps://doi.org/10.1177/0004563219858125openalex-snapshot
Novel ketamine analogues cause a false positive phencyclidine immunoassay
inferred← citeshttps://doi.org/10.1360/zb2007-37-3-288openalex-snapshot
基于药物数据报道数据库的虚拟组合片段库构建
inferred← citeshttps://doi.org/10.18006/2024.12(2).188.202openalex-snapshot
Exploring Mechanism of Actions for Eugenol and Beta-Caryophyllene to Combat Colorectal Cancer Chemotherapy Using Network Pharmacology
inferred← citeshttps://doi.org/10.19026/rjaset.9.1418openalex-snapshot
Retrieval Performance using Different Type of Similarity Coefficient for Virtual Screening
inferred← citeshttps://doi.org/10.2174/13816128113199990470openalex-snapshot
Network Pharmacology Strategies Toward Multi-Target Anticancer Therapies: From Computational Models to Experimental Design Principles
inferred← citeshttps://doi.org/10.2174/1568026054637683openalex-snapshot
Hierarchical Docking of Databases of Multiple Ligand Conformations
inferred← citeshttps://doi.org/10.2174/156802607782194761openalex-snapshot
Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics
inferred← citeshttps://doi.org/10.2197/ipsjdc.4.238openalex-snapshot
A Combination Method of the Tanimoto Coefficient and Proximity Measure of Random Forest for Compound Activity Prediction
inferred← citeshttps://doi.org/10.3892/etm.2016.3329openalex-snapshot
Understanding the diverse functions of Huatan Tongluo Fang on rheumatoid arthritis from a pharmacological perspective
inferred← citeshttps://doi.org/10.4155/fmc.11.11openalex-snapshot
Informatics, Machine Learning and Computational Medicinal Chemistry
inferred← citeshttps://doi.org/10.70675/c62edcc5z1d13z49e5zb18ez2a51ea905a5copenalex-snapshot
Simulation numérique et approche orientée connaissance pour la découverte de nouvelles molécules thérapeutiques
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.