On the public citation graph
A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database
0 signed · 94 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.
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known work and none has been retracted — and get a dated CiteStamped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.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19990301)38:5<643::aid-anie643>3.0.co;2-gopenalex-snapshot
Statistical Investigation into the Structural Complementarity of Natural Products and Synthetic Compounds
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19990301)38:5<647::aid-anie647>3.0.co;2-0openalex-snapshot
Surface-Initiated Polymerization for Amplification of Self-Assembled Monolayers Patterned by Microcontact Printing
inferredcites →https://doi.org/10.1002/med.10041openalex-snapshot
Selection criteria for drug‐like compounds
inferredcites →https://doi.org/10.1016/s0169-409x(02)00003-0openalex-snapshot
Prediction of ‘drug-likeness’
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0958-1669(97)80124-3openalex-snapshot
Will natural products remain an important source of drug research for the future?
inferredcites →https://doi.org/10.1016/s1359-6446(00)00114-8openalex-snapshot
HTS in the new millennium
inferredcites →https://doi.org/10.1016/s1359-6446(99)01451-8openalex-snapshot
Computational methods for the prediction of ‘drug-likeness’
inferredcites →https://doi.org/10.1016/s1367-5931(02)00330-7openalex-snapshot
Combinatorial synthesis of natural products
inferredcites →https://doi.org/10.1016/s1367-5931(99)80056-8openalex-snapshot
Pharmacokinetics and metabolism in early drug discovery
inferredcites →https://doi.org/10.1016/s1367-5931(99)80058-1openalex-snapshot
Recognizing molecules with drug-like properties
inferredcites →https://doi.org/10.1021/ci0003810openalex-snapshot
Improving the Odds in Discriminating “Drug-like” from “Non Drug-like” Compounds
inferredcites →https://doi.org/10.1021/ci00063a006openalex-snapshot
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
inferredcites →https://doi.org/10.1021/ci00063a007openalex-snapshot
Review of ring perception algorithms for chemical graphs
inferredcites →https://doi.org/10.1021/ci010366aopenalex-snapshot
Is There a Difference between Leads and Drugs? A Historical Perspective
inferredcites →https://doi.org/10.1021/ci970431+openalex-snapshot
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
inferredcites →https://doi.org/10.1021/ci990266topenalex-snapshot
Potential Drugs and Nondrugs: Prediction and Identification of Important Structural Features
inferredcites →https://doi.org/10.1021/jm015507eopenalex-snapshot
Simple Selection Criteria for Drug-like Chemical Matter
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1021/jm970666copenalex-snapshot
Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
inferredcites →https://doi.org/10.1021/jm9706776openalex-snapshot
A Scoring Scheme for Discriminating between Drugs and Nondrugs
inferredcites →https://doi.org/10.1023/a:1008130001697openalex-snapshot
Property distribution of drug-related chemical databases*
inferredcites →https://doi.org/10.1039/a902202copenalex-snapshot
The influence of natural products upon drug discovery (Antiquity to late 1999)
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470892107.ch17openalex-snapshot
In SilicoMethods for the Analysis of Metabolites and Drug Molecules
inferred← citeshttps://doi.org/10.1002/9780470915110.ch2openalex-snapshot
In SilicoADME/Tox Predictions
inferred← citeshttps://doi.org/10.1002/cmdc.202200196openalex-snapshot
Natural Products from Annonaceae as Potential Antichagasic Agents
inferred← citeshttps://doi.org/10.1002/med.20176openalex-snapshot
The human rhinovirus: human‐pathological impact, mechanisms of antirhinoviral agents, and strategies for their discovery
inferred← citeshttps://doi.org/10.1002/qsar.200630037openalex-snapshot
A Quantitative Approach to the Estimation of Chemical Space from a Given Geometry by the Combination of Atomic Species
inferred← citeshttps://doi.org/10.1002/slct.202405697openalex-snapshot
Molecular Modeling, Cheminformatics Analysis, and Synthesis of Trifluoromethylated Aromatic Sulfonamides as Putative Inhibitors of Cholesteryl Ester Transfer Protein
inferred← citeshttps://doi.org/10.1007/978-1-0716-0150-1_29openalex-snapshot
Ecotoxicity Databases for QSAR Modeling
inferred← citeshttps://doi.org/10.1007/s11030-006-9033-5openalex-snapshot
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers
inferred← citeshttps://doi.org/10.1007/s11859-011-0713-3openalex-snapshot
Sequence similarity analysis of non-self CTL epitopes and mouse proteins using sequence alignment
inferred← citeshttps://doi.org/10.1016/bs.mie.2018.09.022openalex-snapshot
Hit-to-Lead: Hit Validation and Assessment
inferred← citeshttps://doi.org/10.1016/j.addr.2015.01.009openalex-snapshot
The application of in silico drug-likeness predictions in pharmaceutical research
inferred← citeshttps://doi.org/10.1016/j.bjp.2015.08.005openalex-snapshot
Combined structure- and ligand-based virtual screening to evaluate caulerpin analogs with potential inhibitory activity against monoamine oxidase B
inferred← citeshttps://doi.org/10.1016/j.bmc.2005.11.006openalex-snapshot
Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay
inferred← citeshttps://doi.org/10.1016/j.bmcl.2008.01.020openalex-snapshot
Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling
inferred← citeshttps://doi.org/10.1016/j.bmcl.2008.09.027openalex-snapshot
Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: Virtual screening, synthesis, and biological evaluation
inferred← citeshttps://doi.org/10.1016/j.cellsig.2024.111465openalex-snapshot
Effects of pomegranate exocarp extract on H. pylori-induced pancreatic EMT: Molecular mechanisms and therapeutic potential
inferred← citeshttps://doi.org/10.1016/j.chemolab.2016.03.023openalex-snapshot
Variable-selection approaches to generate QSAR models for a set of antichagasic semicarbazones and analogues
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.09.004openalex-snapshot
New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery
inferred← citeshttps://doi.org/10.1016/j.ejmech.2008.06.005openalex-snapshot
Structure-based virtual screening for identification of novel 11β-HSD1 inhibitors
inferred← citeshttps://doi.org/10.1016/j.fitote.2025.106773openalex-snapshot
Potential protective effects of Pistacia lentiscus L. var. latifolius coss extract against carbon tetrachloride-induced liver injury: Biochemical, histopathological, and computational insights
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125994openalex-snapshot
Innovative molecular descriptors in QSPR modeling: Integrating Carnahan-Starling EoS for predicting diffusion coefficients in hydrocarbons and mixtures
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02009-3openalex-snapshot
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
inferred← citeshttps://doi.org/10.1016/s1875-5364(15)30056-xopenalex-snapshot
Screening of natural compounds with neuronal differentiation promoting effects in a cell-based model
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00125openalex-snapshot
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01476openalex-snapshot
Application of Negative Design To Design a More Desirable Virtual Screening Library
inferred← citeshttps://doi.org/10.1021/acssuschemeng.9b01306openalex-snapshot
Probing the Environmental Toxicity of Deep Eutectic Solvents and Their Components: An In Silico Modeling Approach
inferred← citeshttps://doi.org/10.1021/cc0501561openalex-snapshot
Strategy for Discovering Chemical Inhibitors of Human Cyclophilin A: Focused Library Design, Virtual Screening, Chemical Synthesis and Bioassay
inferred← citeshttps://doi.org/10.1021/ci100202popenalex-snapshot
Model-Free Drug-Likeness from Fragments
inferred← citeshttps://doi.org/10.1021/ci1002087openalex-snapshot
Natural Product-Like Virtual Libraries: Recursive Atom-Based Enumeration
inferred← citeshttps://doi.org/10.1021/ci700107yopenalex-snapshot
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification
inferred← citeshttps://doi.org/10.1021/ci700351yopenalex-snapshot
Gradual in Silico Filtering for Druglike Substances
inferred← citeshttps://doi.org/10.1021/ci9004354openalex-snapshot
Predicting Oral Druglikeness by Iterative Stochastic Elimination
inferred← citeshttps://doi.org/10.1021/co4001309openalex-snapshot
Rapid Generation of Privileged Substructure-Based Compound Libraries with Structural Diversity and Drug-Likeness
inferred← citeshttps://doi.org/10.1021/jacs.6b04636openalex-snapshot
Computation Sheds Insight into Iron Porphyrin Carbenes’ Electronic Structure, Formation, and N–H Insertion Reactivity
inferred← citeshttps://doi.org/10.1021/jm060414oopenalex-snapshot
Discovering Potassium Channel Blockers from Synthetic Compound Database by Using Structure-Based Virtual Screening in Conjunction with Electrophysiological Assay
inferred← citeshttps://doi.org/10.1021/jm8015602openalex-snapshot
Discovering Potent Inhibitors Against the β-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) of Helicobacter pylori : Structure-Based Design, Synthesis, Bioassay, and Crystal Structure Determination
inferred← citeshttps://doi.org/10.1021/jm801622xopenalex-snapshot
Identification of Novel Falcipain-2 Inhibitors as Potential Antimalarial Agents through Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/pr4012848openalex-snapshot
Important Role of SUMOylation of Spliceosome Factors in Prostate Cancer Cells
inferred← citeshttps://doi.org/10.1038/nchembio0606-284openalex-snapshot
Making carbon-nitrogen bonds in biological and chemical synthesis
inferred← citeshttps://doi.org/10.1039/9781847558879-00268openalex-snapshot
Compound Library Design – Principles and Applications
inferred← citeshttps://doi.org/10.1039/c8md00472bopenalex-snapshot
ADMET-score – a comprehensive scoring function for evaluation of chemical drug-likeness
inferred← citeshttps://doi.org/10.1074/jbc.m110.111898openalex-snapshot
Potentiation of Tumor Necrosis Factor-α-induced Tumor Cell Apoptosis by a Small Molecule Inhibitor for Anti-apoptotic Protein hPEBP4
inferred← citeshttps://doi.org/10.1080/07391102.2026.2634090openalex-snapshot
In-silico interaction of molecules from Foeniculum vulgare methanolic seed extract with conserved RNA binding residues of NS3 protein of Dengue virus
inferred← citeshttps://doi.org/10.1080/17460441.2021.1867095openalex-snapshot
Multi-objective optimization methods in novel drug design
inferred← citeshttps://doi.org/10.1093/jac/dkm229openalex-snapshot
Potent and selective inhibitors of Staphylococcus epidermidis tryptophanyl-tRNA synthetase
inferred← citeshttps://doi.org/10.1111/j.1745-7254.2007.00670.xopenalex-snapshot
Structure-based drug design of a novel family of chalcones as PPARα agonists: virtual screening, synthesis, and biological activities in vitro
inferred← citeshttps://doi.org/10.1146/annurev-anchem-061417-125611openalex-snapshot
Technologies for Measuring Pharmacokinetic Profiles
inferred← citeshttps://doi.org/10.1155/bmri/5076755openalex-snapshot
Synthesis, Characterization, Antimicrobial Activity, Docking, and In Silico ADMET Analysis of Some New 2,3‐Dihydrobenzo[b][1,4]thiazepine Derivatives
inferred← citeshttps://doi.org/10.1177/1087057106293295openalex-snapshot
Discovering Severe Acute Respiratory Syndrome Coronavirus 3CL Protease Inhibitors: Virtual Screening, Surface Plasmon Resonance, and Fluorescence Resonance Energy Transfer Assays
inferred← citeshttps://doi.org/10.1177/117693510600200002openalex-snapshot
Databases and QSAR for Cancer Research
inferred← citeshttps://doi.org/10.1186/1471-2180-6-96openalex-snapshot
Structure-based discovery of inhibitors of the YycG histidine kinase: New chemical leads to combat Staphylococcus epidermidis infections
inferred← citeshttps://doi.org/10.1186/1758-2946-4-31openalex-snapshot
Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines
inferred← citeshttps://doi.org/10.1186/s12906-024-04718-5openalex-snapshot
Synergistic anticancer effects of cisplatin and phenolic aglycones of the aerial part of Rumex dentatus L. in tongue squamous cell carcinoma: insights from network pharmacology and biological verification
inferred← citeshttps://doi.org/10.1201/b19853-4openalex-snapshot
The rm2 Metrics for Validation of QSAR/QSPR Models
inferred← citeshttps://doi.org/10.2174/0109298673268452231108061008openalex-snapshot
Natural Phenolic Compounds with Antithrombotic and Antiplatelet Effects: A Drug-likeness Approach
inferred← citeshttps://doi.org/10.2174/092986712799945021openalex-snapshot
Molecular Property Filters Describing Pharmacokinetics and Drug Binding
inferred← citeshttps://doi.org/10.2174/1568026619666190510094228openalex-snapshot
Exploring Secondary Metabolites Database of Apocynaceae, Menispermaceae, and Annonaceae to Select Potential Anti-HCV Compounds
inferred← citeshttps://doi.org/10.2174/187231307779814066openalex-snapshot
Properties and Architecture of Drugs and Natural Products Revisited
inferred← citeshttps://doi.org/10.2751/jcac.9.70openalex-snapshot
Development of Drug-likeness Model and Its Visualization
inferred← citeshttps://doi.org/10.3389/fphar.2017.00074openalex-snapshot
Network Pharmacology Studies on the Bioactive Compounds and Action Mechanisms of Natural Products for the Treatment of Diabetes Mellitus: A Review
inferred← citeshttps://doi.org/10.3390/app14219966openalex-snapshot
Beyond the Arbitrariness of Drug-Likeness Rules: Rough Set Theory and Decision Rules in the Service of Drug Design
inferred← citeshttps://doi.org/10.3390/cimb44010028openalex-snapshot
Computer-Assisted Discovery of Alkaloids with Schistosomicidal Activity
inferred← citeshttps://doi.org/10.3390/molecules21010075openalex-snapshot
Chemical Structure-Related Drug-Like Criteria of Global Approved Drugs
inferred← citeshttps://doi.org/10.3390/molecules25225348openalex-snapshot
Molecular Modeling, Synthesis and Biological Evaluation of N-Phenyl-4-Hydroxy-6-Methyl-2-Quinolone-3-CarboxAmides as Anticancer Agents
inferred← citeshttps://doi.org/10.3390/molecules27175530openalex-snapshot
QSTR Modeling to Find Relevant DFT Descriptors Related to the Toxicity of Carbamates
inferred← citeshttps://doi.org/10.3390/ph17060750openalex-snapshot
A Machine Learning Approach for Predicting Caco-2 Cell Permeability in Natural Products from the Biodiversity in Peru
inferred← citeshttps://doi.org/10.34133/hds.0098openalex-snapshot
Current Trends and Challenges in Drug-Likeness Prediction: Are They Generalizable and Interpretable?
inferred← citeshttps://doi.org/10.5012/bkcs.2012.33.7.2365openalex-snapshot
Discovery of Novel 11β-HSD1 Inhibitors by Pharmacophore-Based Virtual Screening
inferred← citeshttps://doi.org/10.70675/2b288725z2446z48c5z833ezf53915cd324bopenalex-snapshot
Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer
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.