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Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs. 2. Molecules Containing Heteroatoms and QSAR Applications
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Ligand-Based Approach for Multi-Target Drug Discovery: PTML Modeling of Triple-Target Inhibitors
inferred← citeshttps://doi.org/10.2174/092986712799945058openalex-snapshot
Role of Ligand-Based Drug Design Methodologies toward the Discovery of New Anti- Alzheimer Agents: Futures Perspectives in Fragment-Based Ligand Design
inferred← citeshttps://doi.org/10.2174/138161210792389243openalex-snapshot
Structural Contributions of Substrates to their Binding to P-Glycoprotein. A TOPSMODE Approach
inferred← citeshttps://doi.org/10.2174/138161210792389289openalex-snapshot
Current Pharmaceutical Design of Antituberculosis Drugs: Future Perspectives
inferred← citeshttps://doi.org/10.2174/138620712802650487openalex-snapshot
In Silico Discovery and Virtual Screening of Multi-Target Inhibitors for Proteins in Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.2174/138955712800493744openalex-snapshot
Discovery of Anti-Alzheimer Agents: Current Ligand-Based Approaches toward the Design of Acetylcholinesterase Inhibitors
inferred← citeshttps://doi.org/10.2174/138955712802762383openalex-snapshot
Monoamino Oxidase A: An Interesting Pharmacological Target for the Development of Multi-Target QSAR
inferred← citeshttps://doi.org/10.2174/1567205011310020001openalex-snapshot
Multi-Target Inhibitors for Proteins Associated with Alzheimer: In Silico Discovery using Fragment-Based Descriptors
inferred← citeshttps://doi.org/10.2174/156802612800166783openalex-snapshot
Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents
inferred← citeshttps://doi.org/10.2174/1568026611212240005openalex-snapshot
Abelson Tyrosine-Protein Kinase 1 as Principal Target for Drug Discovery Against Leukemias. Role of the Current Computer-Aided Drug Design Methodologies
inferred← citeshttps://doi.org/10.2174/15680266112126660221openalex-snapshot
Evolution of Graph Theory-Based QSAR Methods and their Applications to the Search for New Antibacterial Agents
inferred← citeshttps://doi.org/10.2174/15680266113139990116openalex-snapshot
Simultaneous Modeling of Antimycobacterial Activities and ADMET Profiles: A Chemoinformatic Approach to Medicinal Chemistry
inferred← citeshttps://doi.org/10.2174/157340911798260287openalex-snapshot
Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5
inferred← citeshttps://doi.org/10.2174/15734099113096660047openalex-snapshot
Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds
inferred← citeshttps://doi.org/10.2174/157489311795222392openalex-snapshot
Application of Bioinformatics for the Search of Novel Anti-Viral Therapies: Rational Design of Anti-Herpes Agents
inferred← citeshttps://doi.org/10.2174/187152012800617722openalex-snapshot
Chemoinformatics in Multi-target Drug Discovery for Anti-cancer Therapy: In Silico Design of Potent and Versatile Anti-brain Tumor Agents
inferred← citeshttps://doi.org/10.2217/nnm.14.96openalex-snapshot
Computational Modeling in Nanomedicine: Prediction of Multiple Antibacterial Profiles of Nanoparticles Using a Quantitative Structure–Activity Relationship Perturbation Model
inferred← citeshttps://doi.org/10.2741/e622openalex-snapshot
Regulatory issues in management of chemicals in OECD member countries
inferred← citeshttps://doi.org/10.32362/2410-6593-2020-15-6-84-103openalex-snapshot
Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules
inferred← citeshttps://doi.org/10.3390/80900687openalex-snapshot
Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds
inferred← citeshttps://doi.org/10.3390/app14209344openalex-snapshot
Perturbation Theory Machine Learning Model for Phenotypic Early Antineoplastic Drug Discovery: Design of Virtual Anti-Lung-Cancer Agents
inferred← citeshttps://doi.org/10.3390/biom11121832openalex-snapshot
In Silico Drug Repurposing for Anti-Inflammatory Therapy: Virtual Search for Dual Inhibitors of Caspase-1 and TNF-Alpha
inferred← citeshttps://doi.org/10.3390/biomedicines10020491openalex-snapshot
PTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors
inferred← citeshttps://doi.org/10.3390/cimb47050301openalex-snapshot
Perturbation-Theory Machine Learning for Multi-Target Drug Discovery in Modern Anticancer Research
inferred← citeshttps://doi.org/10.3390/ecsoc-9-01656openalex-snapshot
Prediction the Human Skin Permeation Through a Topological Substructural Approach
inferred← citeshttps://doi.org/10.3390/ijms262311453openalex-snapshot
Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines
inferred← citeshttps://doi.org/10.3390/microorganisms13071620openalex-snapshot
In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors
inferred← citeshttps://doi.org/10.3390/mol2net-05-06266openalex-snapshot
Models to Predict pH–dependent Aqueous Solubility of Chemically Diverse Druglike Compounds
inferred← citeshttps://doi.org/10.3390/mol2net-05-06268openalex-snapshot
Modeling aqueous solubility of druglike organic compounds in strongly acidic medium
inferred← citeshttps://doi.org/10.3390/molecules25061292openalex-snapshot
QSPR/QSAR: State-of-Art, Weirdness, the Future
inferred← citeshttps://doi.org/10.3390/ph18020196openalex-snapshot
In Silico Approach for Antibacterial Discovery: PTML Modeling of Virtual Multi-Strain Inhibitors Against Staphylococcus aureus
inferred← citeshttps://doi.org/10.4155/fmc.14.136openalex-snapshot
Chemoinformatics for Medicinal Chemistry: In Silico Model to Enable the Discovery of Potent and Safer Anti-Cocci Agents
inferred← citeshttps://doi.org/10.5772/61887openalex-snapshot
TI2BioP — Topological Indices to BioPolymers. A Graphical– Numerical Approach for Bioinformatics
inferred← citeshttps://doi.org/10.6339/jds.2003.01(4).172openalex-snapshot
The Matrix Expression, Topological Index and Atomic Attribute of Molecular Topological Structure
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