Mathematical Correction for Fingerprint Similarity Measures to Improve Chemical Retrieval

No abstract is available for this paper.

• Publication year

  2007

• Venue

  Journal of Chemical Information and Modeling

• Publication date

  2007-04-20

• Fields of study

  Mathematics, Chemistry, Medicine, Computer Science

• Identifiers
  DOI 10.1021/ci600526aPMID 17444629
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time

  2007cited by this paper
• Fold recognition by combining profile-profile alignment and support vector machine

  2005cited by this paper
• ZINC - A Free Database of Commercially Available Compounds for Virtual Screening

  2005cited by this paper
• Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity

  2005cited by this paper
• ChemDB: a public database of small molecules and related chemoinformatics resources

  2005cited by this paper
• Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening

  2004cited by this paper
• Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys

  2003cited by this paper
• Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings.

  2002cited by this paper
• A Modification of the Jaccard–Tanimoto Similarity Index for Diverse Selection of Chemical Compounds Using Binary Strings

  2002cited by this paper
• Detailed analysis of scoring functions for virtual screening.

  2001cited by this paper
• On the Properties of Bit String-Based Measures of Chemical Similarity

  1998cited by this paper
• The art and practice of structure‐based drug design: A molecular modeling perspective

  1996cited by this paper
• Definition and role of similarity concepts in the chemical and physical sciences

  1992cited by this paper
• Random Graphs

  1985cited by this paper
• Features of Similarity

  1977cited by this paper

• Exploring the Structure of KCNQ1 Activators by the Foldit Platform to Combat Long QT Syndrome

  2025cites this paper
• A survey of estimating number of distinct values

  2025cites this paper
• Enhancing Similarity Measures for Binary Data in Clustering: The Role of Rare Events and Matching Absences

  2025cites this paper
• Collective victim counting in post-disaster response: A distributed, power-efficient algorithm via BLE spontaneous networks

  2025cites this paper
• Adversarial Modality Alignment Network for Cross-Modal Molecule Retrieval

  2024cites this paper
• Towards Cross-Modal Text-Molecule Retrieval with Better Modality Alignment

  2024cites this paper
• Memory-efficient DRASiW Models

  2024cites this paper
• Privacy‐preserving WiFi‐based crowd monitoring

  2024cites this paper
• Automatic Bill of Materials

  2023cites this paper
• Privacy-friendly statistical counting for pedestrian dynamics

  2023cites this paper
• Capacity Analysis of Vector Symbolic Architectures

  2023cites this paper
• GoldFinger: Fast & Approximate Jaccard for Efficient KNN Graph Constructions

  2023cites this paper
• Anonymized Counting of Nonstationary Wi-Fi Devices When Monitoring Crowds

  2022cites this paper
• In-stream Probabilistic Cardinality Estimation for Bloom Filters

  2022influential citation
• ProbGraph: High-Performance and High-Accuracy Graph Mining with Probabilistic Set Representations

  2022influential citation
• Challenges in Automated Measurement of Pedestrian Dynamics

  2022cites this paper
• Bloom Filter based Collective Remote Attestation for Dynamic Networks

  2021cites this paper
• Quantum Bloom Filter and Its Applications

  2021cites this paper
• Enrichment of Metabolic Routes through Big Data

  2020cites this paper
• Probabilistic Counters for Privacy Preserving Data Aggregation

  2020cites this paper
• Prediction of Compound Bioactivities Using Heat-Diffusion Equation

  2020cites this paper
• Solving Set Relations with Secure Bloom Filters Keeping Cardinality Private

  2020influential citation
• Privacy-Preserving Secure Cardinality and Frequency Estimation

  2020cites this paper
• Diabetes Diagnostic Prediction Using Vector Support Machines

  2020cites this paper
• Prediction of Mandibular Morphology through Artificial Neural Networks

  2020cites this paper
• Predicting Toxicity Properties through Machine Learning

  2020cites this paper
• AccountTrade: Accountability Against Dishonest Big Data Buyers and Sellers

  2019cites this paper
• Software defined deduplicated replica management in scale-out storage systems

  2019cites this paper
• kmcEx: memory-frugal and retrieval-efficient encoding of counted k-mers

  2019cites this paper
• Bloom Hopping: Bloom Filter Based 2-Hop Neighbor Management in VANETs

  2019cites this paper
• On Occupancy Moments and Bloom Filter Efficiency

  2019cites this paper
• Private Set Relations with Bloom Filters for Outsourced SLA Validation

  2019influential citation
• PIDIoT: Probabilistic Intrusion Detection for the Internet-of-Things

  2019cites this paper
• A Lightweight Block Validation Method for Resource-Constrained IoT Devices in Blockchain-Based Applications

  2019cites this paper
• Dashing: fast and accurate genomic distances with HyperLogLog

  2018cites this paper
• Efficient privacy-preserving implicit authentication

  2018cites this paper
• Secure Similar Document Detection: Optimized Computation Using the Jaccard Coefficient

  2018cites this paper
• Not All VANET Broadcasts Are the Same: Context-Aware Class Based Broadcast

  2018cites this paper
• Performance Evaluation of Bloom Multifilters

  2018cites this paper
• Privacy-preserving Wi-Fi Analytics

  2018cites this paper
• DNA barcoding a complete matrix of stereoisomeric small molecules.

  2018cites this paper
• On the Analysis of Compressed Chemical Fingerprints

  2018cites this paper
• Audience Size Forecasting: Fast and Smart Budget Planning for Media Buyers

  2018cites this paper
• AccountTrade: Accountable protocols for big data trading against dishonest consumers

  2017cites this paper
• On correlating network traffic for cyber threat intelligence: A Bloom filter approach

  2017influential citation
• Cardinality Estimation: An Experimental Survey

  2017cites this paper
• Secure pseudonymisation for privacy-preserving probabilistic record linkage

  2017influential citation
• Privacy-preserving Wi-Fi tracking systems

  2016cites this paper
• An item/user representation for recommender systems based on bloom filters

  2016cites this paper
• Granular Time Warp Objects

  2016cites this paper
• Towards Accurate and Scalable Recommender Systems

  2016cites this paper
• Security and privacy for outsourced computations.

  2016cites this paper
• A Network Coverage Algorithm for Message Broadcast in Vehicular Networks

  2016cites this paper
• Category-Sensitive Hashing and Bloom Filter Based Descriptors for Online Keypoint Recognition

  2015cites this paper
• Efficient Genome-Wide, Privacy-Preserving Similar Patient Query based on Private Edit Distance

  2015cites this paper
• AMBIENCE : A Context-Centric Online Social Network

  2015cites this paper
• BACR: set similarities with lower bounds and application to spatial trajectories

  2015cites this paper
• Securely Measuring the Overlap between Private Datasets with Cryptosets

  2015cites this paper
• On the privacy provisions of Bloom filters in lightweight bitcoin clients

  2014cites this paper
• Few buffers, many hot spots, and no tree saturation (with high probability)

  2014cites this paper
• Avoiding Tree Saturation in the Face of Many Hotspots with Few Buffers

  2014cites this paper
• Percival : Blinded Searching of a Secret Split Archive

  2013cites this paper
• Molecular crime scene investigation - dusting for fingerprints.

  2013cites this paper
• Visualization and Virtual Screening of the Chemical Universe Database GDB-17

  2013cites this paper
• SimG: An Alignment Based Method for Evaluating the Similarity of Small Molecules and Binding Sites

  2013cites this paper
• Molecular crime scene investigation – dusting for fingerprints

  2013cites this paper
• Content-based search of gene expression databases using binary fingerprints of differential expression profiles

  2012influential citation
• Speeding Up Chemical Searches Using the Inverted Index: The Convergence of Chemoinformatics and Text Search Methods

  2012cites this paper
• Similarity searching

  2011cites this paper
• Partially ordered sets: ranking and prediction of substances' properties.

  2011cites this paper
• Rendering Conventional Molecular Fingerprints for Virtual Screening Independent of Molecular Complexity and Size Effects

  2010cites this paper
• Hashing Algorithms and Data Structures for Rapid Searches of Fingerprint Vectors

  2010cites this paper
• Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

  2010cites this paper
• Advances in 2D fingerprint similarity searching

  2010cites this paper
• Advanced fingerprint methods for similarity searching: balancing molecular complexity effects.

  2010cites this paper
• Computational methods and software in computer-aided combinatorial library design

  2010cites this paper
• An Algorithm for the Building of Scaffold Fingerprints Graphs for the Calculation of Weighted Similarity Measurements

  2009cites this paper
• A new Ligand-Based approach to virtual screening, and prolifing or large chemical libraries

  2008cites this paper
• Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs

  2008cites this paper
• Speeding Up Chemical Database Searches Using a Proximity Filter Based on the Logical Exclusive OR

  2008cites this paper
• Ranking patterns, an application to refrigerants

  2008cites this paper
• Discovery of Power-Laws in Chemical Space

  2008cites this paper
• One- to Four-Dimensional Kernels for Virtual Screening and the Prediction of Physical, Chemical, and Biological Properties

  2007cites this paper
• Lossless Compression of Chemical Fingerprints Using Integer Entropy Codes Improves Storage and Retrieval

  2007cites this paper
• ChemDB update - full-text search and virtual chemical space

  2007cites this paper
• Data without Boundaries Deliverable D11.2 Record Linkage Approaches for Dynamic Database Integration

  year unknowninfluential citation
• Cluster-based Aggregation for Inter-vehicle Communication

  year unknowncites this paper