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Strategies for subset selection of parts of an in-house chemical library
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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)1099-128x(200001/02)14:1<1::aid-cem565>3.0.co;2-bopenalex-snapshot
Cost-optimal replenishment of chemical baths: an application of linear programming
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A Use's Guide to Principal Components
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Comparison between physicochemical and calculated molecular descriptors
inferredcites →https://doi.org/10.1002/9783906390406.ch12openalex-snapshot
Intelligent Combinatorial Libraries
inferredcites →https://doi.org/10.1002/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1002/qsar.19970160506openalex-snapshot
Cluster‐based Design in Environmental QSAR
inferredcites →https://doi.org/10.1007/0-306-46873-5openalex-snapshot
Molecular Diversity in Drug Design
inferredcites →https://doi.org/10.1007/s12094-006-0048-2openalex-snapshot
High throughput screening in drug discovery
inferredcites →https://doi.org/10.1016/0167-9473(92)90064-mopenalex-snapshot
A review of some exchange algorithms for constructing discrete D-optimal designs
inferredcites →https://doi.org/10.1016/0169-7439(87)80084-9openalex-snapshot
Principal component analysis
inferredcites →https://doi.org/10.1016/0169-7439(89)80083-8openalex-snapshot
Quantitative structure—activity relationships (QSAR)
inferredcites →https://doi.org/10.1016/0169-7439(92)80105-dopenalex-snapshot
Theoretical versus empirical molecular descriptors in monosubstituted benzenes
inferredcites →https://doi.org/10.1016/0169-7439(96)00023-8openalex-snapshot
Multivariate design and modeling in QSAR
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0169-7439(96)00007-xopenalex-snapshot
Missing data methods in PCA and PLS: Score calculations with incomplete observations
inferredcites →https://doi.org/10.1016/s0169-7439(98)00120-8openalex-snapshot
Fuzzy clustering of 627 alcohols, guided by a strategy for cluster analysis of chemical compounds for combinatorial chemistry
inferredcites →https://doi.org/10.1016/s0169-7439(99)00009-xopenalex-snapshot
Screening combinatorial libraries
inferredcites →https://doi.org/10.1016/s0378-4347(98)00045-0openalex-snapshot
Protein affinity map of chemical space
inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferredcites →https://doi.org/10.1021/cc9900192openalex-snapshot
Comprehensive Survey of Combinatorial Library Synthesis: 1998
inferredcites →https://doi.org/10.1021/ci00010a010openalex-snapshot
Clustering of chemical structures on the basis of two-dimensional similarity measures
inferredcites →https://doi.org/10.1021/ci980138popenalex-snapshot
Design and Diversity Analysis of Large Combinatorial Libraries Using Cell-Based Methods
inferredcites →https://doi.org/10.1021/ci980228uopenalex-snapshot
On the Equivalence Between Different Descriptions of Molecules: Value for Computational Approaches
inferredcites →https://doi.org/10.1021/cr950202ropenalex-snapshot
Quantum-Chemical Descriptors in QSAR/QSPR Studies
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
inferredcites →https://doi.org/10.1021/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm9700878openalex-snapshot
Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases
inferredcites →https://doi.org/10.1021/jm991118xopenalex-snapshot
Statistical Molecular Design of Building Blocks for Combinatorial Chemistry
inferredcites →https://doi.org/10.1023/a:1009699413828openalex-snapshot
Comprehensive survey of chemical libraries yielding enzyme inhibitors, receptor agonists and antagonists, and other biologically active agents: 1992 through 1997
inferredcites →https://doi.org/10.1038/384014a0openalex-snapshot
Education reforms struggle against apartheid's legacy
inferredcites →https://doi.org/10.1080/00224065.1988.11979093openalex-snapshot
Programs for Generating Extreme Vertices and Centroids of Linearly Constrained Experimental Regions
inferredcites →https://doi.org/10.1080/00401706.1994.10485399openalex-snapshot
A Simple Bayesian Modification of D -Optimal Designs to Reduce Dependence on an Assumed Model
inferredcites →https://doi.org/10.2307/1269197openalex-snapshot
A Simple Bayesian Modification of D-Optimal Designs to Reduce Dependence on an Assumed Model
inferredcites →https://doi.org/10.3891/acta.chem.scand.39b-0079openalex-snapshot
Screening of Suitable Solvents in Organic Synthesis. Strategies for Solvent Selection.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cem.1107openalex-snapshot
Solvent subset selection for polymorph screening
inferred← citeshttps://doi.org/10.1002/cem.738openalex-snapshot
Hierarchical experimental design exemplified by QSAR evaluation of a chemical library directed towards the melanocortin 4 receptor
inferred← citeshttps://doi.org/10.1002/qsar.200290002openalex-snapshot
Identification of Diverse Database Subsets using Property‐Based and Fragment‐Based Molecular Descriptions
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_16openalex-snapshot
Methods for Combinatorial and Parallel Library Design
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00256-xopenalex-snapshot
Library Design: Ligand and Structure-Based Principles for Parallel and Combinatorial Libraries
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.007openalex-snapshot
Chemical diversity and biological activity
inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.03.003openalex-snapshot
Generation of QSAR sets with a self-organizing map
inferred← citeshttps://doi.org/10.1016/j.microc.2023.108654openalex-snapshot
Subset selection using Combined Analytical Signal
inferred← citeshttps://doi.org/10.1021/ci049612jopenalex-snapshot
Improved CoMFA Modeling by Optimization of Settings
inferred← citeshttps://doi.org/10.1039/b103660mopenalex-snapshot
Principal Component Analysis on the effect of nucleophiles on the reactivity of α-acylenaminoketones
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:085openalex-snapshot
Application of Chemoinformatics to High-Throughput Screening
inferred← citeshttps://doi.org/10.4018/978-1-4666-8136-1.ch008openalex-snapshot
Integrated in Silico Methods for the Design and Optimization of Novel Drug Candidates
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch016openalex-snapshot
Integrated in Silico Methods for the Design and Optimization of Novel Drug Candidates
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