Why do we need so many chemical similarity search methods?
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Small Molecule Subgraph Detector (SMSD) toolkitDesign, synthesis and biological evaluation of ligands selective for the melanocortin-3 receptorOptimal assignment methods for ligand-based virtual screeningEvaluation of a Bayesian inference network for ligand-based virtual screeningUSR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniquesA Teach-Discover-Treat Application of ZincPharmer: An Online Interactive Pharmacophore Modeling and Virtual Screening ToolOpen-source platform to benchmark fingerprints for ligand-based virtual screeningAn Investigation into the Antifungal Property of Fabaceae using Bioinformatics ToolsCharting biologically relevant chemical space: a structural classification of natural products (SCONP)Molpher: a software framework for systematic chemical space explorationNew similarity-based algorithm and its application to classification of anticonvulsant compounds.Tunable machine vision-based strategy for automated annotation of chemical databasesAccelerated similarity searching and clustering of large compound sets by geometric embedding and locality sensitive hashing.On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?GeneComps and ChemComps: a new CTD metric to identify genes and chemicals with shared toxicogenomic profiles.Local neighborhood behavior in a combinatorial library context.SuperPred: update on drug classification and target predictionPharmer: efficient and exact pharmacophore searchA novel potential therapeutic avenue for autism: design, synthesis and pharmacophore generation of SSRIs with dual actionMachine learning methods in chemoinformaticsDrug-drug relationship based on target information: application to drug target identification.How similar are those molecules after all? Use two descriptors and you will have three different answers.An alphabetic code based atomic level molecular similarity search in databases.PL-PatchSurfer: a novel molecular local surface-based method for exploring protein-ligand interactions.Optimization and visualization of the edge weights in optimal assignment methods for virtual screening.CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering.Tautomerism in computer-aided drug design.An overview of molecular fingerprint similarity search in virtual screening.Fast 3D shape screening of large chemical databases through alignment-recyclingZINCPharmer: pharmacophore search of the ZINC databaseDevelopment, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs.In Silico Design and Selection of Anti-fungal AmB-polyene-analog Lead Molecules by Virtual Screening Method.Chemogenomic approaches to rational drug designA maximum common substructure-based algorithm for searching and predicting drug-like compoundsSystematic computational analysis of structure-activity relationships: concepts, challenges and recent advances.Modeling approaches for ligand-based 3D similarity.Informatics, machine learning and computational medicinal chemistry.Advances in 2D fingerprint similarity searching.Review of knowledge for rational design and identification of anti-tubercular compounds.Fusing similarity rankings in ligand-based virtual screening.
P2860
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P2860
Why do we need so many chemical similarity search methods?
description
2002 nî lūn-bûn
@nan
2002 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2002 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
name
Why do we need so many chemical similarity search methods?
@ast
Why do we need so many chemical similarity search methods?
@en
type
label
Why do we need so many chemical similarity search methods?
@ast
Why do we need so many chemical similarity search methods?
@en
prefLabel
Why do we need so many chemical similarity search methods?
@ast
Why do we need so many chemical similarity search methods?
@en
P1433
P1476
Why do we need so many chemical similarity search methods?
@en
P2093
Robert P Sheridan
Simon K Kearsley
P304
P356
10.1016/S1359-6446(02)02411-X
P577
2002-09-01T00:00:00Z