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Consensus Scoring Criteria for Improving Enrichment in Virtual Screening

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

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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
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How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
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Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
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Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
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Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
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Detailed Analysis of Scoring Functions for Virtual Screening
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Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
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Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
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Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine
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Prediction of Ligand Binding Affinity and Orientation of Xenoestrogens to the Estrogen Receptor by Molecular Dynamics Simulations and the Linear Interaction Energy Method
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Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
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Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
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Virtual screening of chemical libraries
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Seeking novel leads through structure-based pharmacophore design

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GARD: A Generally Applicable Replacement for RMSD
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Combined strategies in structure-based virtual screening
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Structure–activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures
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Computational Evidence to Inhibition of Human Acetyl Cholinesterase by Withanolide A for Alzheimer Treatment
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Automatic clustering of docking poses in virtual screening process using self-organizing map
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Identification of degenerate motifs using position restricted selection and hybrid ranking combination
inferred← citeshttps://doi.org/10.1093/nar/gkq480openalex-snapshot
SiMMap: a web server for inferring site-moiety map to recognize interaction preferences between protein pockets and compound moieties
inferred← citeshttps://doi.org/10.1096/fj.202504176ropenalex-snapshot
Evaluating the Reliability of Virtual Screening: Experimental Insights From Flavonoid Library Screen Targeting Caspase‐3
inferred← citeshttps://doi.org/10.1101/2020.04.24.060392openalex-snapshot
Integrative Omics for Informed Drug Repurposing: Targeting CNS Disorders
inferred← citeshttps://doi.org/10.1108/17427371011097604openalex-snapshot
Performance evaluation of classifier ensembles in terms of diversity and performance of individual systems
inferred← citeshttps://doi.org/10.1109/access.2020.3047057openalex-snapshot
Multi-Layer Combinatorial Fusion Using Cognitive Diversity
inferred← citeshttps://doi.org/10.1109/aina.2006.128openalex-snapshot
Combinatorial Fusion Criteria for Real-Time Tracking
inferred← citeshttps://doi.org/10.1109/aina.2007.45openalex-snapshot
Combinatorial Fusion Criteria for Robot Mapping
inferred← citeshttps://doi.org/10.1109/aina.2012.137openalex-snapshot
Combination of Multiple Retrieval Systems Using Rank-Score Function and Cognitive Diversity
inferred← citeshttps://doi.org/10.1109/bibe.2005.26openalex-snapshot
Feature Selection and Combination Criteria for Improving Predictive Accuracy in Protein Structure Classification
inferred← citeshttps://doi.org/10.1109/bibe.2009.69openalex-snapshot
Analysis of Autism Prevalence and Neurotoxins Using Combinatorial Fusion and Association Rule Mining
inferred← citeshttps://doi.org/10.1109/bibe.2009.70openalex-snapshot
Microarray Gene Expression Analysis Using Combinatorial Fusion
inferred← citeshttps://doi.org/10.1109/ccmb.2014.7020699openalex-snapshot
Joint decision-making on two visual perception systems
inferred← citeshttps://doi.org/10.1109/coginf.2011.6016149openalex-snapshot
Joint decision making in visual cognition using Combinatorial Fusion Analysis
inferred← citeshttps://doi.org/10.1109/cse.2011.71openalex-snapshot
Combining Multiple Retrieval Systems Using Combinatorial Fusion Analysis and Rank-Score Characteristic Function
inferred← citeshttps://doi.org/10.1109/cse.2014.221openalex-snapshot
When to Combine Two Visual Cognition Systems
inferred← citeshttps://doi.org/10.1109/cyberscitech64112.2024.00099openalex-snapshot
NCAA Bracket Prediction Uing Machine Learning and Combinatorial Fusion Analysis
inferred← citeshttps://doi.org/10.1109/dasc-picom-cbdcom-cyberscitech52372.2021.00127openalex-snapshot
Human Cognition and Hyper Intelligence
inferred← citeshttps://doi.org/10.1109/dasc/picom/cbdcom/cyberscitech.2019.00191openalex-snapshot
Sentiment Analysis on Tweets Using Machine Learning and Combinatorial Fusion
inferred← citeshttps://doi.org/10.1109/dasc/picom/datacom/cyberscitec.2018.00-11openalex-snapshot
Predication of NCAA Bracket Using Recurrent Neural Network and Combinatorial Fusion
inferred← citeshttps://doi.org/10.1109/datacom.2019.00027openalex-snapshot
Combining Multiple Ranking Systems on the Generalized Permutation Rank Space
inferred← citeshttps://doi.org/10.1109/grid.2008.4662800openalex-snapshot
Bringing flexibility to virtual screening for enzymatic inhibitors on the grid
inferred← citeshttps://doi.org/10.1109/i-span.2008.46openalex-snapshot
On the Relationships Among Various Diversity Measures in Multiple Classifier Systems
inferred← citeshttps://doi.org/10.1109/i-span.2012.31openalex-snapshot
A Comparative Study on the Combination of Multiple Retrieval Systems
inferred← citeshttps://doi.org/10.1109/icassp55912.2026.11460611openalex-snapshot
Enhancing Value Alignment of LLMs with Multi-Agent System and Combinatorial Fusion
inferred← citeshttps://doi.org/10.1109/icci-cc.2012.6311167openalex-snapshot
Combining multiple visual cognition systems for joint decision-making using combinatorial fusion
inferred← citeshttps://doi.org/10.1109/icci-cc.2013.6622219openalex-snapshot
Cognitive diversity in perceptive informatics and affective computing
inferred← citeshttps://doi.org/10.1109/icci-cc.2013.6622248openalex-snapshot
Fusion of two visual perception systems utilizing cognitive diversity
inferred← citeshttps://doi.org/10.1109/icci-cc.2013.6622263openalex-snapshot
Music retrieval by singing and humming using information fusion
inferred← citeshttps://doi.org/10.1109/icci-cc.2016.7862057openalex-snapshot
Detecting preferences based on eye movement using combinatorial fusion
inferred← citeshttps://doi.org/10.1109/icci-cc.2017.8109774openalex-snapshot
Combining multiple algorithms for portfolio management using combinatorial fusion
inferred← citeshttps://doi.org/10.1109/icci-cc.2018.8482084openalex-snapshot
Long-Term Portfolio Management Using Attribute Selection and Combinatorial Fusion
inferred← citeshttps://doi.org/10.1109/iccicc53683.2021.9811298openalex-snapshot
Improving Preference Detection with Eye Movement Gaze and Cognitive Diversity
inferred← citeshttps://doi.org/10.1109/iccicc57084.2022.10101519openalex-snapshot
Modeling Prototypical Preference Behavior and Diversity using Rank Score Characteristic Functions
inferred← citeshttps://doi.org/10.1109/icif.2006.301551openalex-snapshot
Selecting and Evaluating Combinatorial Fusion Criteria to Improve Multitarget Tracking
inferred← citeshttps://doi.org/10.1109/ictai.2009.129openalex-snapshot
Combining Multiple Feature Selection Methods for Text Categorization by Using Rank-Score Characteristics
inferred← citeshttps://doi.org/10.1109/mc.2024.3406058openalex-snapshot
Combinatorial Fusion Analysis
inferred← citeshttps://doi.org/10.1109/picom68402.2025.00016openalex-snapshot
Enhancing Sentiment Classification with Machine Learning and Combinatorial Fusion
inferred← citeshttps://doi.org/10.1109/tnb.2007.897482openalex-snapshot
Feature Selection and Combination Criteria for Improving Accuracy in Protein Structure Prediction
inferred← citeshttps://doi.org/10.1109/tsmc.2018.2789460openalex-snapshot
Detecting Seam-Carved Image by Extreme Learning Machines Using Patch Analysis Method, Jury Voting, and Combinatorial Fusion
inferred← citeshttps://doi.org/10.1111/cbdd.12763openalex-snapshot
Boosting Pose Ranking Performance via Rescoring with MM ‐ GBSA
inferred← citeshttps://doi.org/10.1111/febs.12672openalex-snapshot
Discovery of the neuroprotective effects of alvespimycin by computational prioritization of potential anti‐parkinson agents
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01041.xopenalex-snapshot
Chemical Space Sampling in Virtual Screening by Different Crystal Structures
inferred← citeshttps://doi.org/10.1117/12.669177openalex-snapshot
Feature selection for real-time tracking
inferred← citeshttps://doi.org/10.1117/12.720313openalex-snapshot
Selection of fusion operations using rank-score diversity for robot mapping and localization
inferred← citeshttps://doi.org/10.1117/12.777787openalex-snapshot
Comparing discrimination and CFA for selecting tracking features
inferred← citeshttps://doi.org/10.1134/s1070363210120248openalex-snapshot
Computational methods and software in computer-aided combinatorial library design
inferred← citeshttps://doi.org/10.1142/s0218213013500012openalex-snapshot
COMBINATION OF MULTIPLE FEATURE SELECTION METHODS FOR TEXT CATEGORIZATION BY USING COMBINATORIAL FUSION ANALYSIS AND RANK-SCORE CHARACTERISTIC
inferred← citeshttps://doi.org/10.1142/s0219265912500089openalex-snapshot
COMBINING MULTIPLE SENSOR FEATURES FOR STRESS DETECTION USING COMBINATORIAL FUSION
inferred← citeshttps://doi.org/10.1142/s0219265913500035openalex-snapshot
COMPARING SYSTEM SELECTION METHODS FOR THE COMBINATORIAL FUSION OF MULTIPLE RETRIEVAL SYSTEMS
inferred← citeshttps://doi.org/10.1142/s0219265919400012openalex-snapshot
Cognitive Diversity: A Measurement of Dissimilarity Between Multiple Scoring Systems
inferred← citeshttps://doi.org/10.1145/3770855.3818966openalex-snapshot
Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion
inferred← citeshttps://doi.org/10.1147/rd.521.0057openalex-snapshot
Ligand discovery on massively parallel systems
inferred← citeshttps://doi.org/10.1155/2014/359494openalex-snapshot
Novel Design Strategy for Checkpoint Kinase 2 Inhibitors Using Pharmacophore Modeling, Combinatorial Fusion, and Virtual Screening
inferred← citeshttps://doi.org/10.11603/mcch.2410-681x.2017.v0.i4.8247openalex-snapshot
Напівемпіричний аналіз взаємодії алкоксипохідних 1,4-бенздіазепіну з ГАМКа-рецептором на підставі даних молекулярного докінгу та фармакологічного ефекту
inferred← citeshttps://doi.org/10.11603/mcch.2410-681x.2022.i1.13033openalex-snapshot
ПРОСТАГЛАНДИНОВИЙ І БРАДИКІНІНОВИЙ МЕХАНІЗМИ АНАЛЬГЕТИЧНОЇ ТА ПРОТИЗАПАЛЬНОЇ ДІЇ ПРОПОКСАЗЕПАМУ: ДАНІ МОЛЕКУЛЯРНОГО ДОКІНГУ
inferred← citeshttps://doi.org/10.1186/1471-2164-11-s4-s26openalex-snapshot
TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features
inferred← citeshttps://doi.org/10.1186/1471-2164-13-s8-s12openalex-snapshot
Combining multiple ChIP-seq peak detection systems using combinatorial fusion
inferred← citeshttps://doi.org/10.1186/1479-7364-5-5-497openalex-snapshot
Survey of public domain software for docking simulations and virtual screening
inferred← citeshttps://doi.org/10.1186/s12864-017-3503-2openalex-snapshot
An integrated approach with new strategies for QSAR models and lead optimization
inferred← citeshttps://doi.org/10.1186/s12906-026-05264-yopenalex-snapshot
Implications of notoginsenoside R1 in osteoclastogenesis and bone remodeling via nitric oxide modulation
inferred← citeshttps://doi.org/10.1186/s13321-024-00855-8openalex-snapshot
Consensus holistic virtual screening for drug discovery: a novel machine learning model approach
inferred← citeshttps://doi.org/10.1273/cbij.10.85openalex-snapshot
Universal Optimizations of Scoring Functions for Virtual Screening
inferred← citeshttps://doi.org/10.1371/journal.pone.0000428openalex-snapshot
Combinatorial Computational Approaches to Identify Tetracycline Derivatives as Flavivirus Inhibitors
inferred← citeshttps://doi.org/10.1371/journal.pone.0032142openalex-snapshot
Core Site-Moiety Maps Reveal Inhibitors and Binding Mechanisms of Orthologous Proteins by Screening Compound Libraries
inferred← citeshttps://doi.org/10.1371/journal.pone.0034240openalex-snapshot
Associations between HIV and Human Pathways Revealed by Protein-Protein Interactions and Correlated Gene Expression Profiles
inferred← citeshttps://doi.org/10.1371/journal.pone.0042390openalex-snapshot
miRSystem: An Integrated System for Characterizing Enriched Functions and Pathways of MicroRNA Targets
inferred← citeshttps://doi.org/10.1371/journal.pone.0056704openalex-snapshot
Parallel Screening of Wild-Type and Drug-Resistant Targets for Anti-Resistance Neuraminidase Inhibitors
inferred← citeshttps://doi.org/10.1371/journal.pone.0337873openalex-snapshot
Identifying gene regulation modules associated with tumor metastasis using a network decomposition approach and combinatorial fusion analysis
inferred← citeshttps://doi.org/10.1504/ijcbdd.2011.041415openalex-snapshot
LigSeeSVM: Ligand-based virtual Screening using Support Vector Machines and data fusion
inferred← citeshttps://doi.org/10.1517/17425255.2010.486399openalex-snapshot
Structural ensemble in computational drug screening
inferred← citeshttps://doi.org/10.1517/17460441.2.1.37openalex-snapshot
Combining ligand-based and structure-based drug design in the virtual screening arena
inferred← citeshttps://doi.org/10.1517/17460441.3.8.853openalex-snapshot
Virtual screening of the estrogen receptor
inferred← citeshttps://doi.org/10.15302/j-qb-022-0321openalex-snapshot
Exploration on learning molecular docking with deep learning models
inferred← citeshttps://doi.org/10.15407/dopovidi2023.03.096openalex-snapshot
Взаємодія пропоксазепаму з ізоформами цитохрому P450 за результатами молекулярного докінг-аналізу
inferred← citeshttps://doi.org/10.21015/vtcs.v12i2.452openalex-snapshot
Computational Approaches to Identify a Derivative of Galardin as an Inhibitor of Mycobacterial Peptide Deformylase
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1066901/v1openalex-snapshot
Deep Learning Model of Dock by Dock Process Significantly Accelerate the Process of Docking-Based Virtual Screening
inferred← citeshttps://doi.org/10.21203/rs.3.rs-352349/v1openalex-snapshot
Improving Reliability of the Virtual Screening Process for Human Dihydroorotate Dehydrogenase Enzyme by Combination of the Ensemble and Consensus Docking Approaches
inferred← citeshttps://doi.org/10.21203/rs.3.rs-8748563/v1openalex-snapshot
Dual Targeting of AChE Inhibition and GPX4 Activation by Plant-Derived Compounds for the Treatment of Alzheimer’s Disease: Insights from Molecular Docking and Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.2147/aabc.s30881openalex-snapshot
Contact-based ligand-clustering approach for the identification of active compounds in virtual screening
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