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Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters
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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/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
inferredcites →https://doi.org/10.1007/bf00130399openalex-snapshot
QSAR of conformationally flexible molecules: Comparative Molecular Field Analysis of protein-tyrosine kinase inhibitors
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Quantum pharmacological studies on antimalarial drugs
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Computer simulation study of the binding of an antiviral agent to a sensitive and a resistant human rhinovirus
inferredcites →https://doi.org/10.1016/s0165-6147(00)89046-xopenalex-snapshot
QSAR: Hansch analysis and related approaches
inferredcites →https://doi.org/10.1021/ci00053a005openalex-snapshot
Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
inferredcites →https://doi.org/10.1021/ci00063a006openalex-snapshot
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
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Semianalytical treatment of solvation for molecular mechanics and dynamics
inferredcites →https://doi.org/10.1021/ja00193a003openalex-snapshot
A new method for the estimation of partition coefficient
inferredcites →https://doi.org/10.1021/ja00215a044openalex-snapshot
Solid-state conformation of anti-human immunodeficiency virus type-1 agents: Crystal structures of three 3'-azido-3'-deoxythymidine analogs
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1021/ja00856a042openalex-snapshot
Correlation analysis. Its application to the structure-activity relation of triazines inhibiting dihydrofolate reductase
inferredcites →https://doi.org/10.1021/ja01062a035openalex-snapshot
p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
inferredcites →https://doi.org/10.1021/ja01222a033openalex-snapshot
The Serological Properties of Simple Substances. IX. Hapten Inhibition of Precipitation of Antisera Homologous to the o-, m-, and p-Azophenylarsonic Acid Groups
inferredcites →https://doi.org/10.1021/jm00014a001openalex-snapshot
Toward Improved Anti-HIV Chemotherapy: Therapeutic Strategies for Intervention with HIV Infections
inferredcites →https://doi.org/10.1021/jm00053a009openalex-snapshot
On the prediction of binding properties of drug molecules by comparative molecular field analysis
inferredcites →https://doi.org/10.1021/jm00054a014openalex-snapshot
Discovery of a novel class of potent HIV-1 protease inhibitors containing the (R)-(hydroxyethyl)urea isostere
inferredcites →https://doi.org/10.1021/jm00078a003openalex-snapshot
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules
inferredcites →https://doi.org/10.1021/jm00080a020openalex-snapshot
Structure-activity relationships of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine analogs: effect of substitutions at the C-6 phenyl ring and at the C-5 position on anti-HIV-1 activity
inferredcites →https://doi.org/10.1021/jm00092a002openalex-snapshot
A series of potent HIV-1 protease inhibitors containing a hydroxyethyl secondary amine transition state isostere: synthesis, enzyme inhibition, and antiviral activity
inferredcites →https://doi.org/10.1021/jm00103a009openalex-snapshot
Synthesis and antiviral activity of deoxy analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) as potent and selective anti-HIV-1 agents
inferredcites →https://doi.org/10.1021/jm00112a048openalex-snapshot
Determination of the relative binding free energies of peptide inhibitors to the HIV-1 protease
inferredcites →https://doi.org/10.1021/jm00113a022openalex-snapshot
Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors
inferredcites →https://doi.org/10.1021/jm00123a019openalex-snapshot
1-(3-Cyano-2,3-dideoxy-.beta.-D-erythro-pentofuranosyl)thymine (cyanothymidine): synthesis and antiviral evaluation against human immunodeficiency virus
inferredcites →https://doi.org/10.1021/jm00128a035openalex-snapshot
On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships
inferredcites →https://doi.org/10.1021/jm00280a017openalex-snapshot
Chance correlations in structure-activity studies using multiple regression analysis
inferredcites →https://doi.org/10.1073/pnas.53.5.952openalex-snapshot
The action of anesthetics on excitable membranes: a quantum-chemical analysis.
inferredcites →https://doi.org/10.1073/pnas.88.22.10287openalex-snapshot
Relative differences in the binding free energies of human immunodeficiency virus 1 protease inhibitors: a thermodynamic cycle-perturbation approach.
inferredcites →https://doi.org/10.2116/analsci.4.565openalex-snapshot
Analysis of Structure-Activity Relation for Primaquine Antimalarial Drugs by a Quantum Pharmacological Approach
inferredcites →https://doi.org/10.2116/analsci.5.641openalex-snapshot
Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jcc.20931openalex-snapshot
Computational modeling of tetrahydroimidazo‐[4,5,1‐jk][1,4]‐benzodiazepinone derivatives: An atomistic drug design approach using Kier‐Hall electrotopological state (E‐state) indices
inferred← citeshttps://doi.org/10.1002/jccs.200900030openalex-snapshot
QSAR Study of Anti‐HIV Activities against HIV‐1 and Some of Their Mutant Strains for a Group of HEPT Derivatives
inferred← citeshttps://doi.org/10.1007/7081_030openalex-snapshot
Structural Information and Drug–Enzyme Interaction of the Non-Nucleoside Reverse Transcriptase Inhibitors Based on Computational Chemistry Approaches
inferred← citeshttps://doi.org/10.1007/978-3-0348-8183-8_6openalex-snapshot
Advances in QSAR studies of HIV-1 reverse transcriptase inhibitors
inferred← citeshttps://doi.org/10.1007/s00706-005-0357-0openalex-snapshot
Correlation Studies of HEPT Derivatives Using Swarm Intelligence and Support Vector Machines
inferred← citeshttps://doi.org/10.1007/s00706-007-0773-4openalex-snapshot
Feature Set Selection in QSAR of 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) Analogues by Using Swarm Intelligence
inferred← citeshttps://doi.org/10.1007/s00894-014-2476-1openalex-snapshot
Antioxidant activity of flavonoids: a QSAR modeling using Fukui indices descriptors
inferred← citeshttps://doi.org/10.1007/s10822-007-9161-8openalex-snapshot
Molecular docking studies on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1 NNRT inhibitors
inferred← citeshttps://doi.org/10.1007/s10910-023-01503-6openalex-snapshot
A novel application of Kier–Hall electrotopological descriptors in datamining new HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) on the basis of chemical similarity
inferred← citeshttps://doi.org/10.1007/s11030-005-9012-2openalex-snapshot
A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis
inferred← citeshttps://doi.org/10.1016/j.bmc.2003.11.009openalex-snapshot
QSAR modeling of HIV-1 reverse transcriptase inhibitor 2-amino-6-arylsulfonylbenzonitriles and congeners using molecular connectivity and E-state parameters
inferred← citeshttps://doi.org/10.1016/j.theochem.2008.04.029openalex-snapshot
A combined X-ray and theoretical study of flavonoid compounds with anti-inflammatory activity
inferred← citeshttps://doi.org/10.1016/s0166-1280(00)00325-0openalex-snapshot
A structure–activity relationship study of HEPT-analog compounds with anti-HIV activity
inferred← citeshttps://doi.org/10.1016/s0166-1280(00)00755-7openalex-snapshot
A multiple linear regression and partial least squares study of flavonoid compounds with anti-HIV activity
inferred← citeshttps://doi.org/10.1016/s0303-2647(03)00140-0openalex-snapshot
Evolutionary optimization, backpropagation, and data preparation issues in QSAR modeling of HIV inhibition by HEPT derivatives
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00053-xopenalex-snapshot
Three-dimensional quantitative structure–activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis
inferred← citeshttps://doi.org/10.1021/ci0001278openalex-snapshot
3D-Quantitative Structure−Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations
inferred← citeshttps://doi.org/10.1021/ci960487oopenalex-snapshot
QSAR Based on Multiple Linear Regression and PLS Methods for the Anti-HIV Activity of a Large Group of HEPT Derivatives
inferred← citeshttps://doi.org/10.1021/ci990314+openalex-snapshot
Use of Artificial Neural Networks in a QSAR Study of Anti-HIV Activity for a Large Group of HEPT Derivatives
inferred← citeshttps://doi.org/10.1023/a:1008013917905openalex-snapshot
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors
inferred← citeshttps://doi.org/10.1023/a:1020280627193openalex-snapshot
HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structures
inferred← citeshttps://doi.org/10.1039/c3mb70218aopenalex-snapshot
Design of novel leads: ligand based computational modeling studies on non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-1
inferred← citeshttps://doi.org/10.1109/cec.2002.1006233openalex-snapshot
Evolved neural networks for quantitative structure-activity relationships of anti-HIV compounds
inferred← citeshttps://doi.org/10.1515/bc.1999.035openalex-snapshot
Conformational Study of the HIV-1 Reverse Transcriptase Inhibitor 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)
inferred← citeshttps://doi.org/10.26534/kimika.v24i2.2-17openalex-snapshot
MLR-Based QSAR Models for Predicting Inhibitory Activity of Reverse Transcriptase by HEPT Derivatives using GETAWAY Descriptors
inferred← citeshttps://doi.org/10.3923/ajb.2007.84.100openalex-snapshot
2D, 3D Modeling of Inhibition Activity of Reverse Transcriptase-1 by HEPT Derivatives
inferred← citeshttps://doi.org/10.4018/ijcce.2017070103openalex-snapshot
Fukui Indices as QSAR Model Descriptors
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