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Analysis of Activity Space by Fragment Fingerprints, 2D Descriptors, and Multitarget Dependent Transformation of 2D Descriptors

https://doi.org/10.1021/ci0500233
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What this work says

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

inferredcites →https://doi.org/10.1002/9783527613083openalex-snapshot
Virtual Screening for Bioactive Molecules
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1007/s00894-004-0186-9openalex-snapshot
Impact of descriptor vector scaling on the classification of drugs and nondrugs with artificial neural networks
inferredcites →https://doi.org/10.1007/s11030-005-6293-4openalex-snapshot
Multi-space classification for predicting GPCR-ligands
inferredcites →https://doi.org/10.1016/s0079-6107(98)00026-1openalex-snapshot
Artificial neural networks for computer-based molecular design
inferredcites →https://doi.org/10.1016/s0223-5234(97)82770-5openalex-snapshot
Computer-assisted lead finding and optimization, current tools for medicinal chemistry
inferredcites →https://doi.org/10.1016/s1359-6446(04)03163-0openalex-snapshot
From magic bullets to designed multiple ligands
inferredcites →https://doi.org/10.1021/cc020092jopenalex-snapshot
Ligand-Based Combinatorial Design of Selective Purinergic Receptor (A2A) Antagonists Using Self-Organizing Maps
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferredcites →https://doi.org/10.1023/a:1008793325522openalex-snapshot
In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.5860/choice.26-5427openalex-snapshot
Educational research, methodology, and measurement: an international handbook
inferredcites →https://doi.org/10.5860/choice.27-0936openalex-snapshot
Genetic algorithms in search, optimization, and machine learning

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/qsar.200610097openalex-snapshot
Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
inferred← citeshttps://doi.org/10.1007/s11095-010-0065-2openalex-snapshot
In-Silico Approaches to Multi-target Drug Discovery
inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.09.002openalex-snapshot
Combinatorial support vector machines approach for virtual screening of selective multi-target serotonin reuptake inhibitors from large compound libraries
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00244openalex-snapshot
Data-Driven Derivation of an “Informer Compound Set” for Improved Selection of Active Compounds in High-Throughput Screening
inferred← citeshttps://doi.org/10.1021/ci600197yopenalex-snapshot
“Bayes Affinity Fingerprints” Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?
inferred← citeshttps://doi.org/10.1021/jm701399fopenalex-snapshot
Chemical Fragments as Foundations for Understanding Target Space and Activity Prediction
inferred← citeshttps://doi.org/10.1021/jm901147eopenalex-snapshot
Kinase Inhibitor Data Modeling and de Novo Inhibitor Design with Fragment Approaches
inferred← citeshttps://doi.org/10.1039/9781849734912-00130openalex-snapshot
In Silico Lead Generation Approaches in Multi-Target Drug Discovery
inferred← citeshttps://doi.org/10.1093/bib/bbw105openalex-snapshot
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
inferred← citeshttps://doi.org/10.1155/2012/620609openalex-snapshot
Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration
inferred← citeshttps://doi.org/10.1371/journal.pone.0039076openalex-snapshot
A Two-Step Target Binding and Selectivity Support Vector Machines Approach for Virtual Screening of Dopamine Receptor Subtype-Selective Ligands
inferred← citeshttps://doi.org/10.1371/journal.pone.0072786openalex-snapshot
A High-Throughput Screen against Pantothenate Synthetase (PanC) Identifies 3-Biphenyl-4-Cyanopyrrole-2-Carboxylic Acids as a New Class of Inhibitor with Activity against Mycobacterium tuberculosis
inferred← citeshttps://doi.org/10.1517/17460441003782277openalex-snapshot
Fragment-based QSAR strategies in drug design
inferred← citeshttps://doi.org/10.17169/refubium-14012openalex-snapshot
Methodenentwicklung auf der Basis künstlicher neuronaler Netze für die Klassifikation und Vorhersage der biologischen Aktivität von Molekülen
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