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Lingos, Finite State Machines, and Fast Similarity Searching
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A fast and efficient method for 2D and 3D molecular shape description
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Flexible Pattern Matching in Strings
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A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication
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New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching
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A Novel Search Engine for Virtual Screening of Very Large Databases
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Multifingerprint Based Similarity Searches for Targeted Class Compound Selection
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Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
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Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1023/a:1008793325522openalex-snapshot
In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes
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Biological Evaluation of d 2 , an Algorithm for High-Performance Sequence Comparison
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The Art of Computer Programming
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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Molecular Descriptors for Biological Systems
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Structuring Chemical Space: Similarity‐Based Characterization of the PubChem Database
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SARConnect: A Tool to Interrogate the Connectivity Between Proteins, Chemical Structures and Activity Data
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Predictive Cheminformatics in Drug Discovery: Statistical Modeling for Analysis of Micro-array and Gene Expression Data
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Analysis and use of fragment-occurrence data in similarity-based virtual screening
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Drug discovery using very large numbers of patents. General strategy with extensive use of match and edit operations
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LINGO-DL: a text-based approach for molecular similarity searching
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Deterministic chaotic finite-state automata
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Approaches using AI in medicinal chemistry
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Early phase drug discovery: Cheminformatics and computational techniques in identifying lead series
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Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
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Follow-on drugs: How far should chemists look?
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Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data
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Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase
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Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods
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Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach
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Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design
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Phenotypic Screen for Cardiac Regeneration Identifies Molecules with Differential Activity in Human Epicardium-Derived Cells versus Cardiac Fibroblasts
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Contemporary Computational Applications and Tools in Drug Discovery
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SIML: A Fast SIMD Algorithm for Calculating LINGO Chemical Similarities on GPUs and CPUs
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Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
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Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments
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FRED Pose Prediction and Virtual Screening Accuracy
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Using Inverted Indices for Accelerating LINGO Calculations
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Beyond the Scope of Free-Wilson Analysis. 2: Can Distance Encoded R-Group Fingerprints Provide Interpretable Nonlinear Models?
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Foreign Language Translation of Chemical Nomenclature by Computer
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Comparison of Molecular Fingerprint Methods on the Basis of Biological Profile Data
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Symmetric Kv1.5 Blockers Discovered by Focused Screening
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Ergothioneine and related histidine derivatives in the gas phase: tautomer structures determined by IRMPD spectroscopy and theory
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Turning intercalators into groove binders: synthesis, photophysics and DNA binding properties of tetracationic mononuclear ruthenium( ii )-based chromophore–quencher complexes
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DNA nanotechnology-empowered finite state machines
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Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs
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Evaluation of a Bayesian inference network for ligand-based virtual screening
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PubChem3D: conformer ensemble accuracy
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Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
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Storage Consumption Reduction using Improved Inverted Indexing for Similarity Search on LINGO Profiles
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Nomen Est Omen: Quantitative Prediction of Molecular Properties Directly from IUPAC Names
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Constructing a Bioinformatics Platform with Web and Mobile Services Based on NVIDIA Jetson TK1
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Constructing a Bioinformatics Platform with Web and Mobile Services Based on NVIDIA Jetson TK1
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Graph-Based Similarity Concepts in Virtual Screening
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METHODS FOR SIMILARITY-BASED VIRTUAL SCREENING
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An alphabetic code based atomic level molecular similarity search in databases
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