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Virtual Screening Using Binary Kernel Discrimination: Effect of Noisy Training Data and the Optimization of Performance
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1097-0290(199824)61:1<61::aid-bit11>3.0.co;2-copenalex-snapshot
High-throughput screening of historic collections: Observations on file size, biological targets, and file diversity
inferredcites →https://doi.org/10.1002/qsar.19890080207openalex-snapshot
Comparison of Fragment Weighting Schemes for Substructural Analysis
inferredcites →https://doi.org/10.1016/s1093-3263(98)00014-xopenalex-snapshot
SLASH: a program for analysing the functional groups in molecules
inferredcites →https://doi.org/10.1021/ci000397qopenalex-snapshot
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination
inferredcites →https://doi.org/10.1021/ci025586iopenalex-snapshot
Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs
inferredcites →https://doi.org/10.1021/ci034231bopenalex-snapshot
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
inferredcites →https://doi.org/10.1021/ci049641uopenalex-snapshot
Virtual Screening of Molecular Databases Using a Support Vector Machine
inferredcites →https://doi.org/10.1021/ci050348jopenalex-snapshot
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching
inferredcites →https://doi.org/10.1021/ci050374hopenalex-snapshot
Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers
inferredcites →https://doi.org/10.1021/ci050397wopenalex-snapshot
Virtual Screening Using Binary Kernel Discrimination: Analysis of Pesticide Data
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferredcites →https://doi.org/10.1021/ci990423oopenalex-snapshot
Strategic Pooling of Compounds for High-Throughput Screening
inferredcites →https://doi.org/10.1021/jm00251a014openalex-snapshot
Substructural analysis. Novel approach to the problem of drug design
inferredcites →https://doi.org/10.1021/jm00251a015openalex-snapshot
Preparation and antitumor activity of 4'-thio analogs of 2,2'-anhydro-1-.beta.-D-arabinofuranosylcytosine
inferredcites →https://doi.org/10.1021/jm049902ropenalex-snapshot
Deriving Knowledge through Data Mining High-Throughput Screening Data
inferredcites →https://doi.org/10.1093/biomet/73.2.405openalex-snapshot
An Alternative Choice of Smoothing for Kernel-Based Density Estimates in Discrete Discriminant Analysis
inferredcites →https://doi.org/10.1097/00005053-195707000-00032openalex-snapshot
NONPARAMETRIC STATISTICS FOR THE BEHAVIORAL SCIENCES
inferredcites →https://doi.org/10.1177/1087057103260590openalex-snapshot
Enrichment of Extremely Noisy High-Throughput Screening Data Using a Naïve Bayes Classifier
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Data Mining Approaches for Compound Selection and Iterative Screening
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Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/jcc.21347openalex-snapshot
Identification of small molecule aggregators from large compound libraries by support vector machines
inferred← citeshttps://doi.org/10.1002/jps.20985openalex-snapshot
Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteins
inferred← citeshttps://doi.org/10.1002/qsar.200610097openalex-snapshot
Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
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Clustering-Based Weighted Extreme Learning Machine for Classification in Drug Discovery Process
inferred← citeshttps://doi.org/10.1007/978-3-540-72847-4_68openalex-snapshot
Parsimonious Kernel Fisher Discrimination
inferred← citeshttps://doi.org/10.1007/s10822-006-9096-5openalex-snapshot
Evaluation of machine-learning methods for ligand-based virtual screening
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Prediction of human major histocompatibility complex class II binding peptides by continuous kernel discrimination method
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.12.002openalex-snapshot
A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01075openalex-snapshot
Ranking Molecules with Vanishing Kernels and a Single Parameter: Active Applicability DomainIncluded
inferred← citeshttps://doi.org/10.1021/ci200128wopenalex-snapshot
Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier
inferred← citeshttps://doi.org/10.1021/ci700087vopenalex-snapshot
Prediction of Ion Channel Activity Using Binary Kernel Discrimination
inferred← citeshttps://doi.org/10.1021/ci8000502openalex-snapshot
Evolving Interpretable Structure−Activity Relationships. 1. Reduced Graph Queries
inferred← citeshttps://doi.org/10.1021/ci9000458openalex-snapshot
FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space
inferred← citeshttps://doi.org/10.1080/08927022.2011.616891openalex-snapshot
Identification of DNA adduct formation of small molecules by molecular descriptors and machine learning methods
inferred← citeshttps://doi.org/10.1109/bibe.2013.6701529openalex-snapshot
Drug screening with Elastic-net multiple kernel learning
inferred← citeshttps://doi.org/10.1109/iccais.2012.6466620openalex-snapshot
Sparse Fisher discriminant analysis with Jeffrey's hyperprior
inferred← citeshttps://doi.org/10.1109/kst.2016.7440525openalex-snapshot
A coefficient comparison of weighted similarity extreme learning machine for drug screening
inferred← citeshttps://doi.org/10.1186/1758-2946-1-7openalex-snapshot
Large scale study of multiple-molecule queries
inferred← citeshttps://doi.org/10.1186/s13321-018-0281-zopenalex-snapshot
Effect of missing data on multitask prediction methods
inferred← citeshttps://doi.org/10.1371/journal.pone.0195478openalex-snapshot
Virtual screening by a new Clustering-based Weighted Similarity Extreme Learning Machine approach
inferred← citeshttps://doi.org/10.1517/17460441.2010.497534openalex-snapshot
De novodesign: balancing novelty and confined chemical space
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Virtual Screening Methods Based on Bayesian Statistics
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