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KinasepKipred: A Predictive Model for Estimating Ligand-Kinase Inhibitor Constant ( pK i )
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/j.chembiol.2003.09.002openalex-snapshot
The Process of Structure-Based Drug Design
inferredcites →https://doi.org/10.1016/j.chembiol.2017.11.009openalex-snapshot
Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions
inferredcites →https://doi.org/10.1016/j.molcel.2012.08.019openalex-snapshot
Janus-Faced PIDD: A Sensor for DNA Damage-Induced Cell Death or Survival?
inferredcites →https://doi.org/10.1016/s1359-6446(05)03632-9openalex-snapshot
Keynote review: In vitro safety pharmacology profiling: an essential tool for successful drug development
inferredcites →https://doi.org/10.1021/acs.jcim.6b00505openalex-snapshot
MayaChemTools: An Open Source Package for Computational Drug Discovery
inferredcites →https://doi.org/10.1021/ci060155bopenalex-snapshot
Novel 2D Fingerprints for Ligand-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci6002416openalex-snapshot
Fuzzy Tricentric Pharmacophore Fingerprints. 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes
inferredcites →https://doi.org/10.1021/ci7003253openalex-snapshot
Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors
inferredcites →https://doi.org/10.1021/ci980159jopenalex-snapshot
Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design
inferredcites →https://doi.org/10.1038/nbt.1990openalex-snapshot
Comprehensive analysis of kinase inhibitor selectivity
inferredcites →https://doi.org/10.1039/c8ra00003dopenalex-snapshot
A machine learning approach towards the prediction of protein–ligand binding affinity based on fundamental molecular properties
inferredcites →https://doi.org/10.1080/08927022.2011.561430openalex-snapshot
Role of Mg2+ions in protein kinase phosphorylation: insights from molecular dynamics simulations of ATP-kinase complexes
inferredcites →https://doi.org/10.1093/bib/bbr017openalex-snapshot
Identify drug repurposing candidates by mining the Protein Data Bank
inferredcites →https://doi.org/10.1093/bib/bbu010openalex-snapshot
Toward more realistic drug-target interaction predictions
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/10.1093/bioinformatics/btt072openalex-snapshot
propy: a tool to generate various modes of Chou’s PseAAC
inferredcites →https://doi.org/10.1093/bioinformatics/bty593openalex-snapshot
DeepDTA: deep drug–target binding affinity prediction
inferredcites →https://doi.org/10.1124/mol.114.095489openalex-snapshot
25 Years of Small Molecular Weight Kinase Inhibitors: Potentials and Limitations
inferredcites →https://doi.org/10.1172/jci76094openalex-snapshot
Targeting cancer with kinase inhibitors
inferredcites →https://doi.org/10.1186/1471-2105-12-169openalex-snapshot
Predicting drug side-effect profiles: a chemical fragment-based approach
inferredcites →https://doi.org/10.1186/1471-2105-8-353openalex-snapshot
Prediction of potential drug targets based on simple sequence properties
inferredcites →https://doi.org/10.1186/s13321-017-0209-zopenalex-snapshot
SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines
inferredcites →https://doi.org/10.48550/arxiv.1201.0490openalex-snapshot
Scikit-learn: Machine Learning in Python
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1016/j.csbj.2020.02.008openalex-snapshot
Exploring the computational methods for protein-ligand binding site prediction
inferred← citeshttps://doi.org/10.1038/s41598-025-25246-3openalex-snapshot
Targeting cancer metabolism through p-cresol mediated Inhibition of pyruvate dehydrogenase kinase 3 in lung cancer
inferred← citeshttps://doi.org/10.1080/07391102.2023.2194994openalex-snapshot
Sequential virtual screening collaborated with machine-learning strategies for the discovery of precise medicine against non-small cell lung cancer
inferred← citeshttps://doi.org/10.3390/pharmaceutics13101711openalex-snapshot
Curated Database and Preliminary AutoML QSAR Model for 5-HT1A Receptor
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