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SCISSORS: A Linear-Algebraical Technique to Rapidly Approximate Chemical Similarities
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19961115)17:14<1653::aid-jcc7>3.0.co;2-kopenalex-snapshot
A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
inferredcites →https://doi.org/10.1002/(sici)1098-1128(199601)16:1<3::aid-med1>3.0.co;2-6openalex-snapshot
The art and practice of structure-based drug design: A molecular modeling perspective
inferredcites →https://doi.org/10.1002/jcc.21307openalex-snapshot
PAPER—Accelerating parallel evaluations of ROCS
inferredcites →https://doi.org/10.1002/qsar.200330831openalex-snapshot
Approaches to Measure Chemical Similarity – a Review
inferredcites →https://doi.org/10.1007/s10822-005-9019-xopenalex-snapshot
Molecular shape and electrostatics in the encoding of relevant chemical information
inferredcites →https://doi.org/10.1007/s10822-008-9181-zopenalex-snapshot
Managing bias in ROC curves
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci0496797openalex-snapshot
LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci050135uopenalex-snapshot
Effect of Selection of Molecular Descriptors on the Prediction of Blood−Brain Barrier Penetrating and Nonpenetrating Agents by Statistical Learning Methods
inferredcites →https://doi.org/10.1021/ci600552nopenalex-snapshot
Molecular Basis SetsA General Similarity-Based Approach for Representing Chemical Spaces
inferredcites →https://doi.org/10.1021/ci900123vopenalex-snapshot
Small-World Phenomena in Chemical Library Networks: Application to Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1021/ci9803381openalex-snapshot
Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
inferredcites →https://doi.org/10.1021/ja902302hopenalex-snapshot
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
inferredcites →https://doi.org/10.1021/jm00009a003openalex-snapshot
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/jm030242kopenalex-snapshot
Shape Signatures: A New Approach to Computer-Aided Ligand- and Receptor-Based Drug Design
inferredcites →https://doi.org/10.1021/jm030520fopenalex-snapshot
Ligand-Based Structural Hypotheses for Virtual Screening
inferredcites →https://doi.org/10.1021/jm040163oopenalex-snapshot
A Shape-Based 3-D Scaffold Hopping Method and Its Application to a Bacterial Protein−Protein Interaction
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1023/a:1012485807823openalex-snapshot
On a Connection between Kernel PCA and Metric Multidimensional Scaling
inferredcites →https://doi.org/10.1111/j.1747-0285.2006.00341.xopenalex-snapshot
The Use of Three‐Dimensional Shape and Electrostatic Similarity Searching in the Identification of a Melanin‐Concentrating Hormone Receptor 1 Antagonist
inferredcites →https://doi.org/10.1145/1377603.1377604openalex-snapshot
Hybrid differentiation strategies for simulation and analysis of applications in C++
inferredcites →https://doi.org/10.1145/1377603.1377607openalex-snapshot
High-performance implementation of the level-3 BLAS
inferredcites →https://doi.org/10.1162/0899766041732396openalex-snapshot
Learning Eigenfunctions Links Spectral Embedding and Kernel PCA
inferredcites →https://doi.org/10.1162/089976698300017467openalex-snapshot
Nonlinear Component Analysis as a Kernel Eigenvalue Problem
inferredcites →https://doi.org/10.1186/1752-153x-1-12openalex-snapshot
Fast 3D shape screening of large chemical databases through alignment-recycling
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1007/s10822-019-00236-6openalex-snapshot
Electrostatic-field and surface-shape similarity for virtual screening and pose prediction
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.03.030openalex-snapshot
Chemoinformatics: A view of the field and current trends in method development
inferred← citeshttps://doi.org/10.1016/j.ddtec.2012.06.003openalex-snapshot
Molecular crime scene investigation – dusting for fingerprints
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b00696openalex-snapshot
A Simple Representation of Three-Dimensional Molecular Structure
inferred← citeshttps://doi.org/10.1021/ci200235eopenalex-snapshot
Anatomy of High-Performance 2D Similarity Calculations
inferred← citeshttps://doi.org/10.1021/ci200251aopenalex-snapshot
Error Bounds on the SCISSORS Approximation Method
inferred← citeshttps://doi.org/10.1039/c8cc05149fopenalex-snapshot
Heavy pnictogen chalcohalides: the synthesis, structure and properties of these rediscovered semiconductors
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.13.183openalex-snapshot
Computational methods based on molecular shape
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