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Chemical Information Based Scaling of Molecular Descriptors: A Universal Chemical Scale for Library Design and Analysis
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125922openalex-snapshot
Reviews in Computational Chemistry
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Computer‐Aided Molecular Diversity Analysis and Combinatorial Library Design
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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Approaches to virtual library design
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Optimization of chemical libraries by neural networks
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Functional diversity of compound libraries
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On the determinant of the adjacency-plus-distance matrix as the topological index for characterizing alkanes
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Comparison of the NCI Open Database with Seven Large Chemical Structural Databases
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Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds
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A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site
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Chance factors in studies of quantitative structure-activity relationships
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The Properties of Known Drugs. 1. Molecular Frameworks
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Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
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A Scoring Scheme for Discriminating between Drugs and Nondrugs
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Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
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Property distribution of drug-related chemical databases*
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9783527618279.ch33openalex-snapshot
Similarity Searching in Chemical Structure Databases
inferred← citeshttps://doi.org/10.1002/chin.200241236openalex-snapshot
Chemical Information Based Scaling of Molecular Descriptors: A Universal Chemical Scale for Library Design and Analysis.
inferred← citeshttps://doi.org/10.1007/s00894-009-0591-1openalex-snapshot
Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers
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A Cheminformatic Toolkit for Mining Biomedical Knowledge
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Applying genetic algorithms and neural networks to chemometric problems
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Computational design strategies for combinatorial libraries
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Library Synthesis Using 5,6,7,8-Tetrahydro-1,6-naphthyridines as Scaffolds
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Feature Selection for Descriptor Based Classification Models. 1. Theory and GA-SEC Algorithm
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Defining Privileged Reagents Using Subsimilarity Comparison
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Machine learning guided virtual screening of FDA approved drugs targeting GSK-3β in Alzheimer’s disease
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Fuzzy structure-activity relationships
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Examination of the Computed Molecular Properties of Compounds Selected for Clinical Development
inferred← citeshttps://doi.org/10.2174/092986712799945021openalex-snapshot
Molecular Property Filters Describing Pharmacokinetics and Drug Binding
inferred← citeshttps://doi.org/10.25004/ijpsdr.2009.010303openalex-snapshot
QUANTITATIVE STRUCTURE PHARMACOKINETIC RELATIONSHIP USING ARTIFICIAL NEURAL NETWORK: A REVIEW
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Science and Advanced Computing — runs a structured editorial panel for researchers
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