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Generation of Molecular Graphs for QSAR Studies: An Approach Based on Supergraphs
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527616824openalex-snapshot
QSAR: Hansch Analysis and Related Approaches
inferredcites →https://doi.org/10.1002/qsar.200310008openalex-snapshot
SMILIB: Rapid Assembly of Combinatorial Libraries in SMILES Notation
inferredcites →https://doi.org/10.1007/s10634-005-0032-5openalex-snapshot
Quantitative Description of the Rarefied Flame of a Hydrogen-Oxygen Mixture with Inclusion of the Heterogeneous Interaction of Chains
inferredcites →https://doi.org/10.1016/0003-2670(95)00291-7openalex-snapshot
MOLGEN+, a generator of connectivity isomers and stereoisomers for molecular structure elucidation
inferredcites →https://doi.org/10.1016/0039-128x(68)90048-2openalex-snapshot
The wiswesser line-formula chemical notation
inferredcites →https://doi.org/10.1016/j.chembiol.2003.09.002openalex-snapshot
The Process of Structure-Based Drug Design
inferredcites →https://doi.org/10.1016/s0165-6147(00)89046-xopenalex-snapshot
QSAR: Hansch analysis and related approaches
inferredcites →https://doi.org/10.1016/s1093-3263(01)00150-4openalex-snapshot
Designing focused libraries using MoSELECT
inferredcites →https://doi.org/10.1016/s1093-3263(03)00154-2openalex-snapshot
Design of focused and restrained subsets from extremely large virtual libraries
inferredcites →https://doi.org/10.1021/ci00006a002openalex-snapshot
Generation of molecular graphs for QSAR studies: an approach based on acyclic fragment combinations
inferredcites →https://doi.org/10.1021/ci00006a003openalex-snapshot
ALF-A: a knowledge acquisition tool for troubleshooting of laboratory equipment
inferredcites →https://doi.org/10.1021/ci00021a031openalex-snapshot
Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci950393zopenalex-snapshot
Computer Generation of Molecular Structures by the SMOG Program
inferredcites →https://doi.org/10.1023/a:1008108423895openalex-snapshot
A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm
inferredcites →https://doi.org/10.1023/a:1014389729000openalex-snapshot
A genetic algorithm for structure-based de novo design
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200807198openalex-snapshot
ChemInform Abstract: Generation of Molecular Graphs for QSAR Studies: An Approach Based on Supergraphs.
inferred← citeshttps://doi.org/10.1007/978-1-4939-7404-7_5openalex-snapshot
Molecular Field Topology Analysis (MFTA) in the Design of Neuroprotective Compounds
inferred← citeshttps://doi.org/10.1007/s00706-008-0049-7openalex-snapshot
Application of principal component-genetic algorithm-artificial neural network for prediction acidity constant of various nitrogen-containing compounds in water
inferred← citeshttps://doi.org/10.1007/s00706-008-0951-zopenalex-snapshot
Prediction of basicity constants of various pyridines in aqueous solution using a principal component-genetic algorithm-artificial neural network
inferred← citeshttps://doi.org/10.1007/s11172-016-1310-6openalex-snapshot
Online resources for the prediction of biological activity of organic compounds
inferred← citeshttps://doi.org/10.1021/jm701239aopenalex-snapshot
Potent Non-Nucleoside Inhibitors of the Measles Virus RNA-Dependent RNA Polymerase Complex
inferred← citeshttps://doi.org/10.1039/9781847558879-00150openalex-snapshot
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inferred← citeshttps://doi.org/10.1134/s0012500808090073openalex-snapshot
Computer-aided design of selective ligands of the benzodiazepine-binding site of the GABAA receptor
inferred← citeshttps://doi.org/10.1186/s13321-022-00677-6openalex-snapshot
Development of an open-source software for isomer enumeration
inferred← citeshttps://doi.org/10.1246/bcsj.20150054openalex-snapshot
Strategy of Structure Generation within Applicability Domains with One-Class Support Vector Machine
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1002397openalex-snapshot
AutoClickChem: Click Chemistry in Silico
inferred← citeshttps://doi.org/10.2174/156802609789753581openalex-snapshot
Cancer and Virus Leads by HTS, Chemical Design and SEA Data Mining
inferred← citeshttps://doi.org/10.6084/m9.figshare.22610050openalex-snapshot
Additional file 1 of Development of an open-source software for isomer enumeration
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