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Bayesian Model Averaging for Ligand Discovery

https://doi.org/10.1021/ci900046u
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Feed Forward Neural Network entities
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Design, synthesis and trypanocidal activity of lead compounds based on inhibitors of parasite glycolysis
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Wavelet neural network modeling in QSPR for prediction of solubility of 25 anthraquinone dyes at different temperatures and pressures in supercritical carbon dioxide
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A novel descriptor of amino acids and its application in peptide QSAR
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Plasmodium falciparum pyruvate kinase as a novel target for antimalarial drug-screening
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs)
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Pattern Recognition and Neural Networks
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Comparison of Support Vector Machine and Artificial Neural Network Systems for Drug/Nondrug Classification
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Comparative QSAR: Toward a Deeper Understanding of Chemicobiological Interactions
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A Tutorial on Support Vector Machines for Pattern Recognition
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The M2 splice isoform of pyruvate kinase is important for cancer metabolism and tumour growth
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Quantitative high-throughput screening: A titration-based approach that efficiently identifies biological activities in large chemical libraries
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Bayesian CART Model Search
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Neural networks for pattern recognition
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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Bayesian Methods in Virtual Screening and Chemical Biology
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Decision Tree Modeling
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Application of artificial intelligence for drug discovery
inferred← citeshttps://doi.org/10.1016/b978-044452701-1.00025-9openalex-snapshot
Decision Tree Modeling in Classification
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.10.012openalex-snapshot
Machine-learning approaches in drug discovery: methods and applications
inferred← citeshttps://doi.org/10.1016/j.ijar.2016.08.004openalex-snapshot
Distributional logic programming for Bayesian knowledge representation
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Note on Naive Bayes Based on Binary Descriptors in Cheminformatics
inferred← citeshttps://doi.org/10.1021/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferred← citeshttps://doi.org/10.1039/c3ob27177copenalex-snapshot
Multistep divergent synthesis of benzimidazole linked benzoxazole/benzothiazole via copper catalyzed domino annulation
inferred← citeshttps://doi.org/10.1080/15421406.2015.1107812openalex-snapshot
3-(benzo[d]thiazol-2-YL)phenol and 4-(benzo[d]thiazol-2-YL)phenol: Crystal Structure Determination, DFT Calculations and Visualizing Intermolecular Interactions Using Hirshfeld Surface Analysis
inferred← citeshttps://doi.org/10.1109/indicon47234.2019.9029095openalex-snapshot
A Comparative Study of Naive Bayes and k-NN Algorithm for Multi-class Drug Molecule Classification
inferred← citeshttps://doi.org/10.1111/j.1467-842x.2010.00589.xopenalex-snapshot
SELECTION OF WEIGHTS FOR WEIGHTED MODEL AVERAGING
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Machine Learning Techniques in Drug Discovery and Development
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In Silico Drug Discovery and Design
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Machine learning and similarity-based virtual screening techniques
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Pharmaceutical Synthesis and Discloser Approach Using Naïve Bayesian Method in Machine Learning a.
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