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Chemical Similarity Assessment through Multilevel Neighborhoods of Atoms: Definition and Comparison with the Other Descriptors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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General Introduction to QSAR
inferred← citeshttps://doi.org/10.1201/9780849350351-15openalex-snapshot
PASS: Prediction of Biological Activity Spectra for Substances
inferred← citeshttps://doi.org/10.1201/b11196-5openalex-snapshot
Computational Approaches for the Discovery of Natural Lead Structures
inferred← citeshttps://doi.org/10.1248/bpb.b15-00698openalex-snapshot
Design, Synthesis, and Molecular Docking Studies of a Conjugated Thiadiazole–Thiourea Scaffold as Antituberculosis Agents
inferred← citeshttps://doi.org/10.12693/aphyspola.123.704openalex-snapshot
Analysis of Secondary Interactions and Structure-Activity-Relationship of Two Benzoic Acids
inferred← citeshttps://doi.org/10.1273/cbij.21.39openalex-snapshot
Logistic regression and random forest unveil key molecular descriptors of druglikeness
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1006851openalex-snapshot
Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions
inferred← citeshttps://doi.org/10.1371/journal.pone.0191838openalex-snapshot
CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds
inferred← citeshttps://doi.org/10.14529/jsfi200306openalex-snapshot
Computational Approaches to Identify a Hidden Pharmacological Potential in Large Chemical Libraries
inferred← citeshttps://doi.org/10.1515/psr-2018-0112openalex-snapshot
Drug target prediction using chem- and bioinformatics
inferred← citeshttps://doi.org/10.1517/17425255.2012.685158openalex-snapshot
Web tools for predictive toxicology model building
inferred← citeshttps://doi.org/10.15407/ubj87.02.095openalex-snapshot
Antioxidant activity of alkoxy derivatives of (quinoline-4-ylthio)carboxylic acids
inferred← citeshttps://doi.org/10.15421/022322openalex-snapshot
Influence of potassium p-aminobenzene thiosulfate on the membrane potential and ATPase activity of the plasmatic membrane of the embryos of weatherfish (Misgurnus fossіlis)
inferred← citeshttps://doi.org/10.18097/bmcrm00004openalex-snapshot
Computer-aided prediction of biological activity spectra for chemical compounds: opportunities and limitation
inferred← citeshttps://doi.org/10.18097/pbmc20156102286openalex-snapshot
Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional indian ayurvedic medicine
inferred← citeshttps://doi.org/10.18097/pbmc20176305423openalex-snapshot
Application of molecular descriptors for recognition of phosphorylation sites in amino acid sequences
inferred← citeshttps://doi.org/10.18097/pbmc20216703278openalex-snapshot
Possibilities of in silico estimations for the development of pharmaceutical composition phytoladaptogene cytotoxic for bladder cancer cells
inferred← citeshttps://doi.org/10.20944/preprints202202.0220.v1openalex-snapshot
A Parametric Approach to Molecular Encodings of Carbon-based Multilevel Atomic Neighborhoods
inferred← citeshttps://doi.org/10.2174/0929867328666210504114351openalex-snapshot
Machine Learning in Discovery of New Antivirals and Optimization of Viral Infections Therapy
inferred← citeshttps://doi.org/10.2174/138161210791164063openalex-snapshot
Multi-Targeted Natural Products Evaluation Based on Biological Activity Prediction with PASS
inferred← citeshttps://doi.org/10.2174/1568026623666221019110334openalex-snapshot
Computational Approaches in the Discovery and Development of Therapeutic and Prophylactic Agents for Viral Diseases
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.22159/ajpcr.2021.v14i4.41067openalex-snapshot
SYNTHESIS, IN SILICO CHARACTERIZATION AND EX VIVO EVALUATION OF THE NOVEL ORGANIC NITRATE NDIBP AS A POTENTIAL VASORELAXANT AGENT
inferred← citeshttps://doi.org/10.24075/brsmu.2020.059openalex-snapshot
Prospective pharmacological effects of psoralen photoxidation products and their cycloadducts with aminothiols: chemoinformatic analysis
inferred← citeshttps://doi.org/10.24075/vrgmu.2020-05openalex-snapshot
Protivovirusnyy vrozhdonnyy immunitet
inferred← citeshttps://doi.org/10.24075/vrgmu.2020.059openalex-snapshot
Potentsial'nyye farmakologicheskiye effekty produktov fotookisleniya psoralena i ikh tsikloadduktov s aminotiolami: khemoinformatsionnyy analiz
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-1d5w8openalex-snapshot
A community effort to discover small molecule SARS-CoV-2 inhibitors
inferred← citeshttps://doi.org/10.2788/60766openalex-snapshot
Review of QSAR Models and Software Tools for predicting Acute and Chronic Systemic Toxicity
inferred← citeshttps://doi.org/10.2788/9628openalex-snapshot
Review of QSAR Models and Software Tools for predicting Developmental and Reproductive Toxicity
inferred← citeshttps://doi.org/10.31018/jans.v13i2.2618openalex-snapshot
Molecular docking studies of Chenopodium album Linn with Lanosterol synthase enzyme
inferred← citeshttps://doi.org/10.31487/j.cor.2020.08.12openalex-snapshot
Identifying Biomolecular Targets of the Anticancer Vitamin-E-δ-Tocotrienol Using a Computational Approach: Virtual Target Screening
inferred← citeshttps://doi.org/10.31788/rjc.2021.1456620openalex-snapshot
A CSD ANALYSIS OF SOME CHLORINATED QUINOLINES
inferred← citeshttps://doi.org/10.31857/s0320972523050068openalex-snapshot
Prediction of adverse effects of drug-drug interactions on the cardiovascular system based on the analysis of structure-activity relationships
inferred← citeshttps://doi.org/10.32757/2619-0923.2019.3.7.76.86openalex-snapshot
One-click personalized medicine: automatic identification of a therapeutic target by patient’s DNA and RNA
inferred← citeshttps://doi.org/10.3389/fchem.2018.00133openalex-snapshot
How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors
inferred← citeshttps://doi.org/10.3389/fphar.2018.01136openalex-snapshot
Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors
inferred← citeshttps://doi.org/10.3390/ddc5020024openalex-snapshot
Structural Insights into the Redox Potential of Curcumin Derivatives in Litopenaeus vannamei
inferred← citeshttps://doi.org/10.3390/ijms21207492openalex-snapshot
Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body
inferred← citeshttps://doi.org/10.3390/ijms232113230openalex-snapshot
Convolutional Neural Network Model Based on 2D Fingerprint for Bioactivity Prediction
inferred← citeshttps://doi.org/10.3390/ijms26188858openalex-snapshot
In Silico Assessment of Potential Geroprotectors: From Separate Endpoints to Complex Pharmacotherapeutic Effects
inferred← citeshttps://doi.org/10.3390/ijms27125208openalex-snapshot
CLC-Pred Synergy: Web Application for Predicting Pairwise Drug Combinations with Synergistic Activity Against NCI60 Cancer Cell Lines
inferred← citeshttps://doi.org/10.3390/molecules25010087openalex-snapshot
(Q)SAR Models of HIV-1 Protein Inhibition by Drug-Like Compounds
inferred← citeshttps://doi.org/10.3390/molecules27031068openalex-snapshot
Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives
inferred← citeshttps://doi.org/10.3390/molecules28176379openalex-snapshot
In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design
inferred← citeshttps://doi.org/10.3390/ph19091337openalex-snapshot
Computational Prediction of the Severity of Adverse Drug Reactions Caused by Drug–Drug Interactions
inferred← citeshttps://doi.org/10.37747/2312-640x-2020-18-254-256openalex-snapshot
IN SILICO PREDICTION OF PROTEIN-LIGAND INTERACTIONS
inferred← citeshttps://doi.org/10.4155/fmc.10.194openalex-snapshot
Per Aspera Ad Astra : Application of Simplex Qsar Approach in Antiviral Research
inferred← citeshttps://doi.org/10.5121/csit.2020.100200openalex-snapshot
8th International Conference on Signal, Image Processing and Pattern Recognition
inferred← citeshttps://doi.org/10.5121/csit.2020.100203openalex-snapshot
Meramalnet: A Deep Learning Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery
inferred← citeshttps://doi.org/10.5936/csbj.201302013openalex-snapshot
AUTOMATED DETECTION OF STRUCTURAL ALERTS (CHEMICAL FRAGMENTS) IN (ECO)TOXICOLOGY
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.