On the public citation graph
Alignment-Free Prediction of a Drug−Target Complex Network Based on Parameters of Drug Connectivity and Protein Sequence of Receptors
0 signed · 173 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known work and none has been retracted — and get a dated CiteStamped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/jcc.20174openalex-snapshot
Heuristic molecular lipophilicity potential (HMLP): A 2D‐QSAR study to LADH of molecular family pyrazole and derivatives
inferredcites →https://doi.org/10.1002/jcc.20745openalex-snapshot
Applying pattern recognition methods plus quantum and physico‐chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids
inferredcites →https://doi.org/10.1002/jcc.20776openalex-snapshot
Multiple field three dimensional quantitative structure–activity relationship (MF‐3D‐QSAR)
inferredcites →https://doi.org/10.1002/jcc.20826openalex-snapshot
Unified QSAR and network‐based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals
inferredcites →https://doi.org/10.1002/jcc.21056openalex-snapshot
Fragment‐based quantitative structure–activity relationship (FB‐QSAR) for fragment‐based drug design
inferredcites →https://doi.org/10.1002/pmic.200500938openalex-snapshot
Recent progresses in the application of machine learning approach for predicting protein functional class independent of sequence similarity
inferredcites →https://doi.org/10.1002/pmic.200700638openalex-snapshot
Proteomics, networks and connectivity indices
inferredcites →https://doi.org/10.1002/prot.20153openalex-snapshot
Towards a MIP‐based alignment and docking in computer‐aided drug design
inferredcites →https://doi.org/10.1002/prot.20752openalex-snapshot
Similarity networks of protein binding sites
inferredcites →https://doi.org/10.1006/abio.1994.1405openalex-snapshot
Kinetics of Processive Nucleic Acid Polymerases and Nucleases
inferredcites →https://doi.org/10.1006/abio.1996.0001openalex-snapshot
Prediction of Human Immunodeficiency Virus Protease Cleavage Sites in Proteins
inferredcites →https://doi.org/10.1007/bf01637071openalex-snapshot
Quantitative structure-activity relationships (QSAR) and molecular modelling in cancer research
inferredcites →https://doi.org/10.1016/0003-2697(92)90278-fopenalex-snapshot
Mixtures of tight-binding enzyme inhibitors. Kinetic analysis by a recursive rate equation
inferredcites →https://doi.org/10.1016/0014-5793(80)80546-1openalex-snapshot
Fundamentals of Enzyme Kinetics
inferredcites →https://doi.org/10.1016/0022-2836(92)90666-8openalex-snapshot
Energy-optimized structure of antifreeze protein and its binding mechanism
inferredcites →https://doi.org/10.1016/0301-4622(88)85002-6openalex-snapshot
Low-frequency collective motion in biomacromolecules and its biological functions
inferredcites →https://doi.org/10.1016/0301-4622(90)80056-dopenalex-snapshot
Applications of graph theory to enzyme kinetics and protein folding kinetics
inferredcites →https://doi.org/10.1016/0968-0004(89)90026-1openalex-snapshot
Low-frequency resonance and cooperativity of hemoglobin
inferredcites →https://doi.org/10.1016/j.ab.2007.07.006openalex-snapshot
Recent progress in protein subcellular location prediction
inferredcites →https://doi.org/10.1016/j.ab.2008.01.012openalex-snapshot
HIVcleave: a web-server for predicting human immunodeficiency virus protease cleavage sites in proteins
inferredcites →https://doi.org/10.1016/j.bbrc.2004.02.098openalex-snapshot
Modelling extracellular domains of GABA-A receptors: subtypes 1, 2, 3, and 5
inferredcites →https://doi.org/10.1016/j.bbrc.2004.05.016openalex-snapshot
Insights from modelling the 3D structure of the extracellular domain of α7 nicotinic acetylcholine receptor
inferredcites →https://doi.org/10.1016/j.bbrc.2006.01.166openalex-snapshot
A probability cellular automaton model for hepatitis B viral infections
inferredcites →https://doi.org/10.1016/j.bbrc.2007.03.162openalex-snapshot
Signal-CF: A subsite-coupled and window-fusing approach for predicting signal peptides
inferredcites →https://doi.org/10.1016/j.bbrc.2007.06.027openalex-snapshot
MemType-2L: A Web server for predicting membrane proteins and their types by incorporating evolution information through Pse-PSSM
inferredcites →https://doi.org/10.1016/j.bbrc.2007.08.140openalex-snapshot
Signal-3L: A 3-layer approach for predicting signal peptides
inferredcites →https://doi.org/10.1016/j.bbrc.2007.09.098openalex-snapshot
EzyPred: A top–down approach for predicting enzyme functional classes and subclasses
inferredcites →https://doi.org/10.1016/j.bbrc.2008.08.125openalex-snapshot
ProtIdent: A web server for identifying proteases and their types by fusing functional domain and sequential evolution information
inferredcites →https://doi.org/10.1016/j.bmc.2008.04.068openalex-snapshot
Unified QSAR approach to antimicrobials. Part 3: First multi-tasking QSAR model for Input-Coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds
inferredcites →https://doi.org/10.1016/j.bmc.2008.07.023openalex-snapshot
HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
inferredcites →https://doi.org/10.1016/j.jmb.2004.10.024openalex-snapshot
Predicting Enzyme Class From Protein Structure Without Alignments
inferredcites →https://doi.org/10.1016/j.jtbi.2005.02.008openalex-snapshot
An application of gene comparative image for predicting the effect on replication ratio by HBV virus gene missense mutation
inferredcites →https://doi.org/10.1016/j.physrep.2005.10.009openalex-snapshot
Complex networks: Structure and dynamics
inferredcites →https://doi.org/10.1016/s0006-291x(03)01342-1openalex-snapshot
Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
inferredcites →https://doi.org/10.1016/s0021-9258(18)53227-0openalex-snapshot
Steady-state kinetic studies with the non-nucleoside HIV-1 reverse transcriptase inhibitor U-87201E.
inferredcites →https://doi.org/10.1016/s0021-9258(18)80175-2openalex-snapshot
Graphic rules in steady and non-steady state enzyme kinetics
inferredcites →https://doi.org/10.1016/s0021-9258(18)82414-0openalex-snapshot
The quinoline U-78036 is a potent inhibitor of HIV-1 reverse transcriptase
inferredcites →https://doi.org/10.1016/s0021-9258(19)85285-7openalex-snapshot
A vectorized sequence-coupling model for predicting HIV protease cleavage sites in proteins
inferredcites →https://doi.org/10.1021/bi00077a008openalex-snapshot
Kinetic studies with the non-nucleoside HIV-1 reverse transcriptase inhibitor U-88204E
inferredcites →https://doi.org/10.1021/cc800115yopenalex-snapshot
Desirability-Based Methods of Multiobjective Optimization and Ranking for Global QSAR Studies. Filtering Safe and Potent Drug Candidates from Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci034007mopenalex-snapshot
ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas
inferredcites →https://doi.org/10.1021/ci034270nopenalex-snapshot
Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points
inferredcites →https://doi.org/10.1021/ci060003gopenalex-snapshot
Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases
inferredcites →https://doi.org/10.1021/ci7000617openalex-snapshot
From Molecular to Biological Structure and Back
inferredcites →https://doi.org/10.1021/ci970091sopenalex-snapshot
Extension of Edge Connectivity Index. Relationships to Line Graph Indices and QSPR Applications
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja00323a017openalex-snapshot
Energetic approach to the packing of .alpha.-helixes. 2. General treatment of nonequivalent and nonregular helixes
inferredcites →https://doi.org/10.1021/ja00369a043openalex-snapshot
Role of the protein outside active site on the diffusion-controlled reaction of enzymes
inferredcites →https://doi.org/10.1021/jf051148aopenalex-snapshot
Common Physical−Chemical Properties Correlate with Similar Structure of the IgE Epitopes of Peanut Allergens
inferredcites →https://doi.org/10.1021/jm0010670openalex-snapshot
Discriminating between Drugs and Nondrugs by Prediction of Activity Spectra for Substances (PASS)
inferredcites →https://doi.org/10.1021/jm0509849openalex-snapshot
A QSAR Model for in Silico Screening of MAO-A Inhibitors. Prediction, Synthesis, and Biological Assay of Novel Coumarins
inferredcites →https://doi.org/10.1021/jm061445mopenalex-snapshot
Probing the Anticancer Activity of Nucleoside Analogues: A QSAR Model Approach Using an Internally Consistent Training Set
inferredcites →https://doi.org/10.1021/pr025527kopenalex-snapshot
Bioinformatical Analysis of G-Protein-Coupled Receptors
inferredcites →https://doi.org/10.1021/pr049849vopenalex-snapshot
Molecular Therapeutic Target for Type-2 Diabetes
inferredcites →https://doi.org/10.1021/pr050087topenalex-snapshot
Prediction of G-Protein-Coupled Receptor Classes
inferredcites →https://doi.org/10.1021/pr050145aopenalex-snapshot
Coupling Interaction between Thromboxane A2 Receptor and Alpha-13 Subunit of Guanine Nucleotide-Binding Protein
inferredcites →https://doi.org/10.1021/pr050331gopenalex-snapshot
Predicting Protein−Protein Interactions from Sequences in a Hybridization Space
inferredcites →https://doi.org/10.1021/pr060167copenalex-snapshot
Predicting Eukaryotic Protein Subcellular Location by Fusing Optimized Evidence-Theoretic K-Nearest Neighbor Classifiers
inferredcites →https://doi.org/10.1021/pr060493sopenalex-snapshot
A Model for the Recognition of Protein Kinases Based on the Entropy of 3D van der Waals Interactions
inferredcites →https://doi.org/10.1021/pr060635iopenalex-snapshot
Euk-mPLoc: A Fusion Classifier for Large-Scale Eukaryotic Protein Subcellular Location Prediction by Incorporating Multiple Sites
inferredcites →https://doi.org/10.1038/nprot.2007.494openalex-snapshot
Cell-PLoc: a package of Web servers for predicting subcellular localization of proteins in various organisms
inferredcites →https://doi.org/10.1042/bj2220169openalex-snapshot
An extension of Chou's graphic rules for deriving enzyme kinetic equations to systems involving parallel reaction pathways
inferredcites →https://doi.org/10.1073/pnas.0705081104openalex-snapshot
Distribution of node characteristics in complex networks
inferredcites →https://doi.org/10.1073/pnas.2032324100openalex-snapshot
Protein complexes and functional modules in molecular networks
inferredcites →https://doi.org/10.1073/pnas.85.12.4295openalex-snapshot
Energetics of the structure of the four-alpha-helix bundle in proteins.
inferredcites →https://doi.org/10.1080/1062936031000101764openalex-snapshot
On the complexity of directed biological networks
inferredcites →https://doi.org/10.1093/bioinformatics/1.2.105openalex-snapshot
Microcomputer tools for steady–state enzyme kinetics
inferredcites →https://doi.org/10.1093/bioinformatics/16.8.747openalex-snapshot
PASS: prediction of activity spectra for biologically active substances
inferredcites →https://doi.org/10.1093/bioinformatics/btn162openalex-snapshot
Prediction of drug–target interaction networks from the integration of chemical and genomic spaces
inferredcites →https://doi.org/10.1103/revmodphys.74.47openalex-snapshot
Statistical mechanics of complex networks
inferredcites →https://doi.org/10.1139/v08-020openalex-snapshot
Kinetic plasticity and the determination of product ratios for kinetic schemes leading to multiple products without rate laws — New methods based on directed graphs
inferredcites →https://doi.org/10.1186/1471-2105-7-219openalex-snapshot
Exploration of biological network centralities with CentiBiN
inferredcites →https://doi.org/10.1186/1471-2210-8-5openalex-snapshot
A global view of drug-therapy interactions
inferredcites →https://doi.org/10.2174/092986608783330305openalex-snapshot
Molecular Modeling of Two CYP2C19 SNPs and Its Implications for Personalized Drug Design
inferredcites →https://doi.org/10.2174/0929867043364667openalex-snapshot
Structural Bioinformatics and its Impact to Biomedical Science
inferredcites →https://doi.org/10.2174/0929867043364702openalex-snapshot
Prediction of Protein Function in the Absence of Significant Sequence Similarity
inferredcites →https://doi.org/10.2174/0929867043455819openalex-snapshot
Using Property Based Sequence Motifs and 3D Modeling to Determine Structure and Functional Regions of Proteins
inferredcites →https://doi.org/10.2174/092986706778773077openalex-snapshot
Progress in Computational Approach to Drug Development Against SARS
inferredcites →https://doi.org/10.2174/138920305774329313openalex-snapshot
Computational Methods for Protein-Protein Interaction and their Application
inferredcites →https://doi.org/10.2174/138920308784534005openalex-snapshot
Recent Advances in QSAR and Their Applications in Predicting the Activities of Chemical Molecules, Peptides and Proteins for Drug Design
inferredcites →https://doi.org/10.2174/156802607780906771openalex-snapshot
Medicinal Chemistry and Bioinformatics - Current Trends in Drugs Discovery with Networks Topological Indices
inferredcites →https://doi.org/10.2174/157340606776930736openalex-snapshot
Molecular Modeling Studies of Peptide Drug Candidates against SARS
inferredcites →https://doi.org/10.2174/157340607780620644openalex-snapshot
Agaritine and Its Derivatives Are Potential Inhibitors against HIV Proteases
inferredcites →https://doi.org/10.2174/157340607781745492openalex-snapshot
Screening for New Agonists Against Alzheimers Disease
inferredcites →https://doi.org/10.2174/157340607782360362openalex-snapshot
Computational Approach to Drug Design for Oxazolidinones as Antibacterial Agents
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527694365.ch6openalex-snapshot
Exploring the Role of Small Molecules in Biological Systems Using Network Approaches
inferred← citeshttps://doi.org/10.1002/med.21764openalex-snapshot
Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions
inferred← citeshttps://doi.org/10.1002/minf.201300027openalex-snapshot
LECTINPred: web Server that Uses Complex Networks of Protein Structure for Prediction of Lectins with Potential Use as Cancer Biomarkers or in Parasite Vaccine Design
inferred← citeshttps://doi.org/10.1007/7653_2018_23openalex-snapshot
Computational Multi-Target Drug Design
inferred← citeshttps://doi.org/10.1007/7653_2018_26openalex-snapshot
Computational Predictions for Multi-Target Drug Design
inferred← citeshttps://doi.org/10.1007/978-1-4939-2239-0_4openalex-snapshot
A General ANN-Based Multitasking Model for the Discovery of Potent and Safer Antibacterial Agents
inferred← citeshttps://doi.org/10.1007/978-3-031-04998-9_10openalex-snapshot
Polypharmacology in Clinical Applications: Anti-infection Polypharmacology
inferred← citeshttps://doi.org/10.1007/978-3-031-33871-7_4openalex-snapshot
Computational Modeling in the Development of Antiviral Agents
inferred← citeshttps://doi.org/10.1007/s10989-016-9524-xopenalex-snapshot
QSPR-Perturbation Models for the Prediction of B-Epitopes from Immune Epitope Database: A Potentially Valuable Route for Predicting “In Silico” New Optimal Peptide Sequences and/or Boundary Conditions for Vaccine Development
inferred← citeshttps://doi.org/10.1007/s11030-021-10237-zopenalex-snapshot
Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review
inferred← citeshttps://doi.org/10.1007/s11030-022-10489-3openalex-snapshot
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system
inferred← citeshttps://doi.org/10.1007/s11095-010-0065-2openalex-snapshot
In-Silico Approaches to Multi-target Drug Discovery
inferred← citeshttps://doi.org/10.1016/j.aca.2013.07.003openalex-snapshot
Large-scale prediction of human kinase–inhibitor interactions using protein sequences and molecular topological structures
inferred← citeshttps://doi.org/10.1016/j.addr.2012.12.004openalex-snapshot
Drug target inference through pathway analysis of genomics data
inferred← citeshttps://doi.org/10.1016/j.biosystems.2013.02.006openalex-snapshot
The Rücker–Markov invariants of complex Bio-Systems: Applications in Parasitology and Neuroinformatics
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.05.071openalex-snapshot
Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents
inferred← citeshttps://doi.org/10.1016/j.bmc.2013.03.015openalex-snapshot
Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.01.023openalex-snapshot
Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica
inferred← citeshttps://doi.org/10.1016/j.ejmech.2013.08.044openalex-snapshot
Activity profile relationships between structurally similar promiscuous compounds
inferred← citeshttps://doi.org/10.1016/j.ejmech.2019.02.076openalex-snapshot
Advancement of multi-target drug discoveries and promising applications in the field of Alzheimer's disease
inferred← citeshttps://doi.org/10.1016/j.ejps.2012.04.012openalex-snapshot
Chemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents
inferred← citeshttps://doi.org/10.1016/j.ejps.2013.01.011openalex-snapshot
New insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs
inferred← citeshttps://doi.org/10.1016/j.jtbi.2009.07.017openalex-snapshot
Protein functional class prediction using global encoding of amino acid sequence
inferred← citeshttps://doi.org/10.1016/j.jtbi.2011.01.010openalex-snapshot
NL MIND-BEST: A web server for ligands and proteins discovery—Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum
inferred← citeshttps://doi.org/10.1016/j.jtbi.2011.10.016openalex-snapshot
New Markov–Shannon Entropy models to assess connectivity quality in complex networks: From molecular to cellular pathway, Parasite–Host, Neural, Industry, and Legal–Social networks
inferred← citeshttps://doi.org/10.1016/j.jtbi.2015.07.038openalex-snapshot
Classification of signaling proteins based on molecular star graph descriptors using Machine Learning models
inferred← citeshttps://doi.org/10.1016/j.meegid.2012.08.013openalex-snapshot
Multi-targeted therapy for leprosy: Insilico strategy to overcome multi drug resistance and to improve therapeutic efficacy
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2013.01.016openalex-snapshot
Structure and dynamics of molecular networks: A novel paradigm of drug discovery
inferred← citeshttps://doi.org/10.1016/j.pharmthera.2023.108550openalex-snapshot
Multitarget antibacterial drugs: An effective strategy to combat bacterial resistance
inferred← citeshttps://doi.org/10.1016/j.phrs.2015.11.015openalex-snapshot
Drug-symptom networking: Linking drug-likeness screening to drug discovery
inferred← citeshttps://doi.org/10.1016/j.polymer.2009.11.029openalex-snapshot
Plasmod-PPI: A web-server predicting complex biopolymer targets in plasmodium with entropy measures of protein–protein interactions
inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00728openalex-snapshot
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00286openalex-snapshot
Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies
inferred← citeshttps://doi.org/10.1021/acs.jproteome.6b00618openalex-snapshot
Deep-Learning-Based Drug–Target Interaction Prediction
inferred← citeshttps://doi.org/10.1021/ci400280nopenalex-snapshot
Modeling Complex Metabolic Reactions, Ecological Systems, and Financial and Legal Networks with MIANN Models Based on Markov-Wiener Node Descriptors
inferred← citeshttps://doi.org/10.1021/ci400716yopenalex-snapshot
ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks
inferred← citeshttps://doi.org/10.1021/ci500574nopenalex-snapshot
Discovery of Multitarget-Directed Ligands against Alzheimer’s Disease through Systematic Prediction of Chemical–Protein Interactions
inferred← citeshttps://doi.org/10.1021/co400115sopenalex-snapshot
Simultaneous Virtual Prediction of Anti- Escherichia coli Activities and ADMET Profiles: A Chemoinformatic Complementary Approach for High-Throughput Screening
inferred← citeshttps://doi.org/10.1021/pr900827bopenalex-snapshot
Trypano-PPI: A Web Server for Prediction of Unique Targets in Trypanosome Proteome by using Electrostatic Parameters of Protein−protein Interactions
inferred← citeshttps://doi.org/10.1039/9781849734912-00130openalex-snapshot
In Silico Lead Generation Approaches in Multi-Target Drug Discovery
inferred← citeshttps://doi.org/10.1039/c1mb05069aopenalex-snapshot
MISS-Prot: web server for self/non-self discrimination of protein residue networks in parasites; theory and experiments in Fasciola peptides and Anisakis allergens
inferred← citeshttps://doi.org/10.1039/c2mb05432aopenalex-snapshot
LIBP-Pred: web server for lipid bindingproteins using structural network parameters; PDB mining of human cancer biomarkers and drug targets in parasites and bacteria
inferred← citeshttps://doi.org/10.1039/c2mb25093dopenalex-snapshot
A ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection
inferred← citeshttps://doi.org/10.1039/c2mb25110hopenalex-snapshot
Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods
inferred← citeshttps://doi.org/10.1093/bioinformatics/bts502openalex-snapshot
FacPad: Bayesian sparse factor modeling for the inference of pathways responsive to drug treatment
inferred← citeshttps://doi.org/10.1093/bioinformatics/btt105openalex-snapshot
ChemoPy: freely available python package for computational biology and chemoinformatics
inferred← citeshttps://doi.org/10.1101/605162openalex-snapshot
Targeting against HIV/HCV Co-infection using Machine Learning-based multitarget-quantitative structure-activity relationships (mt-QSAR) Methods
inferred← citeshttps://doi.org/10.1109/icbbe.2011.5780048openalex-snapshot
Protein Interaction Network Prediction and Pathways Analyses Related Atherosclerosis
inferred← citeshttps://doi.org/10.1142/9789814583220_0014openalex-snapshot
ANTI-INFECTIOUS DRUG REPURPOSING USING AN INTEGRATED CHEMICAL GENOMICS AND STRUCTURAL SYSTEMS BIOLOGY APPROACH
inferred← citeshttps://doi.org/10.1146/annurev-pharmtox-010611-134630openalex-snapshot
Novel Computational Approaches to Polypharmacology as a Means to Define Responses to Individual Drugs
inferred← citeshttps://doi.org/10.1186/s12864-025-11943-wopenalex-snapshot
MEGDTA: multi-modal drug-target affinity prediction based on protein three-dimensional structure and ensemble graph neural network
inferred← citeshttps://doi.org/10.1186/s13321-017-0209-zopenalex-snapshot
SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines
inferred← citeshttps://doi.org/10.1201/9781315368863-12openalex-snapshot
High-Order Perturbation Theory Models of Drug-Target Interactomes for Proteins Expressed on Networks of Hippocampus Brain Region of Alzheimer Disease Patients
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1000976openalex-snapshot
The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1003554openalex-snapshot
Towards Structural Systems Pharmacology to Study Complex Diseases and Personalized Medicine
inferred← citeshttps://doi.org/10.1371/journal.pone.0009603openalex-snapshot
Predicting Drug-Target Interaction Networks Based on Functional Groups and Biological Features
inferred← citeshttps://doi.org/10.1517/17460440903322234openalex-snapshot
Building a drug–target network and its applications
inferred← citeshttps://doi.org/10.1517/17460441.2015.1006195openalex-snapshot
Multitasking models for quantitative structure–biological effect relationships: current status and future perspectives to speed up drug discovery
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/10.2174/138161210792389289openalex-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/10.2174/1389200219666180925091851openalex-snapshot
A Review of Recent Advances and Research on Drug Target Identification Methods
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/10.2174/1389557520666200204123156openalex-snapshot
The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling
inferred← citeshttps://doi.org/10.2174/156802612803989282openalex-snapshot
QSAR and Molecular Docking Techniques for the Discovery of Potent Monoamine Oxidase B Inhibitors: Computer-Aided Generation of New Rasagiline Bioisosteres
inferred← citeshttps://doi.org/10.2174/1568026611212240003openalex-snapshot
Fragment-Based Optimization of Small Molecule CXCL12 Inhibitors for Antagonizing the CXCL12/CXCR4 Interaction
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/10.2174/1568026611212240007openalex-snapshot
SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
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/10.2174/1568026611313140011openalex-snapshot
General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry
inferred← citeshttps://doi.org/10.2174/15680266113139990121openalex-snapshot
Predict Drug-Protein Interaction in Cellular Networking
inferred← citeshttps://doi.org/10.2174/157016409789973770openalex-snapshot
Topological Charge-Transfer Indices: From Small Molecules to Proteins
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/10.2174/1573409911309020006openalex-snapshot
Evolutionary Computation and QSAR Research
inferred← citeshttps://doi.org/10.2174/1574893610666151008013413openalex-snapshot
MI-NODES Multiscale Models of Metabolic Reactions, Brain Connectome, Ecological, Epidemic, World Trade, and Legal-Social Networks
inferred← citeshttps://doi.org/10.2174/1871520611313050013openalex-snapshot
Unified Multi-target Approach for the Rational in silico Design of Anti-bladder Cancer Agents
inferred← citeshttps://doi.org/10.3390/ecea-2-b010openalex-snapshot
Multi Activity QSAR Models for Anti- Parasite Drugs Using Markov Entropy Indices
inferred← citeshttps://doi.org/10.3390/ecsoc-16-01011openalex-snapshot
MI-DRA 3D: New Model for Reconstruction of US FDA Drug-target Network and Theoretic-experimental Studies of Rasagiline Derivatives Inhibitors of AChE
inferred← citeshttps://doi.org/10.3390/ecsoc-19-e013openalex-snapshot
Hypertension: A mt-QSAR Model for Seeking New Drugs for the Hypertension Treatment using Multiple Conditions.
inferred← citeshttps://doi.org/10.3390/ijms20143572openalex-snapshot
Targeting HIV/HCV Coinfection Using a Machine Learning-Based Multiple Quantitative Structure-Activity Relationships (Multiple QSAR) Method
inferred← citeshttps://doi.org/10.3390/mol2net-1-b002openalex-snapshot
Complex networks of anti-HIV drugs activity vs. prevalence of AIDS in US Counties using symmetry information indices
inferred← citeshttps://doi.org/10.3390/molecules23040954openalex-snapshot
Computational Prediction and Analysis of Associations between Small Molecules and Binding-Associated S-Nitrosylation Sites
inferred← citeshttps://doi.org/10.4155/fmc-2020-0134openalex-snapshot
The Urgent Need for pan-antiviral Agents: From Multitarget Discovery to Multiscale Design
inferred← citeshttps://doi.org/10.70675/5f9f3534z76cez4c04z8be6z7920d2646fefopenalex-snapshot
Novel Quadruplex ligands : in silico and in vitro approaches
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.