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On the Equivalence Between Different Descriptions of Molecules: Value for Computational Approaches

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1007/978-94-011-1350-2openalex-snapshot
Molecular Similarity in Drug Design
inferredcites →https://doi.org/10.1016/0167-2789(86)90031-xopenalex-snapshot
Extracting qualitative dynamics from experimental data
inferredcites →https://doi.org/10.1016/s0065-7743(08)60903-3openalex-snapshot
Chapter 33. Recent Advances in the Generation of Molecular Diversity
inferredcites →https://doi.org/10.1016/s0165-1218(96)90092-0openalex-snapshot
QSARS of mutagens and carcinogens: Two case studies illustrating problems in the construction of models for noncongeneric chemicals
inferredcites →https://doi.org/10.1016/s0165-7208(02)80014-9openalex-snapshot
Computational methods for the analysis of molecular diversity
inferredcites →https://doi.org/10.1016/s0169-7439(98)00065-3openalex-snapshot
Experimental design and optimization
inferredcites →https://doi.org/10.1016/s0375-9601(98)00570-2openalex-snapshot
On the constructive role of noise in spatial systems
inferredcites →https://doi.org/10.1021/ci9601776openalex-snapshot
Partial Orderings in Chemistry
inferredcites →https://doi.org/10.1021/ci9604605openalex-snapshot
Four Association Coefficients for Relating Molecular Similarity Measures
inferredcites →https://doi.org/10.1021/jm00009a003openalex-snapshot
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/jm00035a001openalex-snapshot
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
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/10.1080/00031305.1947.10501534openalex-snapshot
The American Statistician
inferredcites →https://doi.org/10.1080/00031305.1992.10475889openalex-snapshot
Interpretation of Canonical Discriminant Functions, Canonical Variates, and Principal Components
inferredcites →https://doi.org/10.1103/revmodphys.65.499openalex-snapshot
The statistical mechanics of learning a rule
inferredcites →https://doi.org/10.1152/ajpregu.1994.266.5.r1697openalex-snapshot
Quantitative modeling and biology: the multivariate approach
inferredcites →https://doi.org/10.1177/108705719600100204openalex-snapshot
Designing Chemical Libraries for Lead Discovery
inferredcites →https://doi.org/10.2307/2287021openalex-snapshot
Classification and Clustering.
inferredcites →https://doi.org/10.2307/2530887openalex-snapshot
Multivariate Descriptive Statistical Analysis.
inferredcites →https://doi.org/10.2307/2988136openalex-snapshot
Clustering Algorithms.

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/1099-128x(200009/12)14:5/6<629::aid-cem606>3.0.co;2-mopenalex-snapshot
Comparison between physicochemical and calculated molecular descriptors
inferred← citeshttps://doi.org/10.1002/9781118742785.ch10openalex-snapshot
EXPLORATION OF STRUCTURE–ACTIVITY RELATIONSHIPS (SARs) AND TRANSFER OF KEY ELEMENTS IN LEAD OPTIMIZATION
inferred← citeshttps://doi.org/10.1002/9783527613106.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527619375.ch13aopenalex-snapshot
Chemical Informatics
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/cem.671openalex-snapshot
Strategies for subset selection of parts of an in-house chemical library
inferred← citeshttps://doi.org/10.1007/s11094-005-0102-3openalex-snapshot
Relationship Between Structure and Hepatoprotector Activity of Adamantane Derivatives. Part 2. Application of Autocorrelative, Substructural, and 3D Molecular Descriptors
inferred← citeshttps://doi.org/10.1016/s1093-3263(02)00180-8openalex-snapshot
MolSpace: a computer desktop tool for visualization of massive molecular data
inferred← citeshttps://doi.org/10.1016/s1367-5931(00)00091-0openalex-snapshot
Functional diversity of compound libraries
inferred← citeshttps://doi.org/10.1021/ci000308+openalex-snapshot
Infrared Spectra as Chemical Descriptors for QSAR Models
inferred← citeshttps://doi.org/10.1021/ci8000088openalex-snapshot
Predictivity of QSAR
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