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Structure-activity relationship oriented languages for chemical structure representation
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Learning Closed Sets of Labeled Graphs for Chemical Applications
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Computing Graph-Based Lattices from Smallest Projections
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Computer-Assisted Evaluation of Nitroxyl Radical Effect on Biological Activity
inferred← citeshttps://doi.org/10.1007/978-94-009-6415-0_22openalex-snapshot
Data Evaluation in the Development of QSAR
inferred← citeshttps://doi.org/10.1007/bf02524599openalex-snapshot
Toxicity of substituted benzenes predicted using the JSM method of automated hypothesis generation and quantum-chemical calculations
inferred← citeshttps://doi.org/10.1007/s10593-014-1496-1openalex-snapshot
Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource
inferred← citeshttps://doi.org/10.1016/0020-7101(86)90041-3openalex-snapshot
BACOMP- Database of bioactive compounds for structure-activity relationship
inferred← citeshttps://doi.org/10.1016/j.drudis.2008.04.008openalex-snapshot
Current status and future direction of the molecular modeling industry
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Investigation of structure–activity relationship on 17-spirolactone derivatives: the electronic-topological approach
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Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis
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Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds
inferred← citeshttps://doi.org/10.1039/9781847558879-00001openalex-snapshot
Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening
inferred← citeshttps://doi.org/10.1039/9781847558879-00182openalex-snapshot
Probabilistic Approaches in Activity Prediction
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Structure–ambergris odour relationship investigation in a mixed series of decalin and non-decalin compounds: the electronic-topological approach
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Computer aided prediction of biological activity spectra: Evaluating versus known and predicting of new activities for thiazole derivatives
inferred← citeshttps://doi.org/10.1080/1062936x.2013.764926openalex-snapshot
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inferred← citeshttps://doi.org/10.1093/bioinformatics/btg096openalex-snapshot
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Predicting Molecule Toxicity via Descriptor-Based Graph Self-Supervised Learning
inferred← citeshttps://doi.org/10.1186/s13321-020-00462-3openalex-snapshot
Maximum common property: a new approach for molecular similarity
inferred← citeshttps://doi.org/10.1201/9780849350351-15openalex-snapshot
PASS: Prediction of Biological Activity Spectra for Substances
inferred← citeshttps://doi.org/10.1289/ehp.8561239openalex-snapshot
Substructural QSAR Approaches and Topological Pharmacophores
inferred← citeshttps://doi.org/10.21203/rs.3.rs-22241/v1openalex-snapshot
Maximum Common Property: A New Approach for Molecular Similarity
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New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)
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Multi-Targeted Natural Products Evaluation Based on Biological Activity Prediction with PASS
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.3103/s0005105512050020openalex-snapshot
The JSM method: A set-theoretical explanation
inferred← citeshttps://doi.org/10.3103/s0005105519050030openalex-snapshot
Comparison of Data Representation Languages in the Structure–Activity Problem
inferred← citeshttps://doi.org/10.3389/fchem.2025.1524384openalex-snapshot
Chemoinformatics analysis of Mangifera indica leaves extracted phytochemicals as potential EGFR kinase modulators
inferred← citeshttps://doi.org/10.36535/0548-0027-2019-09-1openalex-snapshot
Сравнение языков представления данных в задаче «структура-активность»
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Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
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Predictive models for kinetic and thermodynamic parameters of reactions
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