Evaluation of a Bayesian inference network for ligand-based virtual screeningChemical Similarity SearchingDevelopment and validation of a genetic algorithm for flexible dockingSimilarity-based virtual screening using 2D fingerprintsOpen-Access Mega-Journals: A Bibliometric ProfileOpen-access mega-journalsA fourier fingerprint-based method for protein surface representation.Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real data sets.Combination of similarity rankings using data fusion.IMAAAGINE: a webserver for searching hypothetical 3D amino acid side chain arrangements in the Protein Data BankCalculating the knowledge-based similarity of functional groups using crystallographic data.Combination of fingerprint-based similarity coefficients using data fusion.Maximum common substructure-based data fusion in similarity searching.Evaluation of molecular similarity and molecular diversity methods using biological activity data.Use of graph theory to identify patterns of deprivation and high morbidity and mortality in public health data sets.New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.Virtual screening using binary kernel discrimination: analysis of pesticide data.Virtual screening using binary kernel discrimination: effect of noisy training data and the optimization of performance.Genomic data analysis using DNA structure: an analysis of conserved nongenic sequences and ultraconserved elements.Combinatorial library design using a multiobjective genetic algorithm.Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data.Analysis of data fusion methods in virtual screening: theoretical model.Analysis of data fusion methods in virtual screening: similarity and group fusion.Designing focused libraries using MoSELECT.A sphere-based descriptor for matching protein structures.Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine.Assessment of additive/nonadditive effects in structure-activity relationships: implications for iterative drug design.Effect of data standardization on chemical clustering and similarity searching.Analysis and use of fragment-occurrence data in similarity-based virtual screening.Bibliometric analysis of Chinese research on cyclization, MALDI-TOF, and antibiotics.Chemoinformatics - similarity and diversity in chemical libraries.COGNAC: a web server for searching and annotating hydrogen-bonded base interactions in RNA three-dimensional structures.Novel base triples in RNA structures revealed by graph theoretical searching methods.CLIP: similarity searching of 3D databases using clique detection.Genetic algorithms in molecular recognition and design.Clustering files of chemical structures using the Székely-Rizzo generalization of Ward's method.Maximum common subgraph isomorphism algorithms for the matching of chemical structures.Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures.SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures.NASSAM: a server to search for and annotate tertiary interactions and motifs in three-dimensional structures of complex RNA molecules
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P50
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