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Toward Novel Universal Descriptors: Charge Fingerprints
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Atomistic Topological Indices Applied to Benzodiazepines using Various Regression Methods
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A Chemically Intuitive Molecular Index Based on the Eigenvalues of a Modified Adjacency Matrix
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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
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QSAR Studies of PC-3 cell line inhibition activity of TSA and SAHA-like hydroxamic acids
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inferredcites →https://doi.org/10.1016/j.ijpharm.2003.08.013openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0045-6535(02)00608-2openalex-snapshot
Acute toxicity and quantitative structure–activity relationships of α-branched phenylsulfonyl acetates to Daphnia magna
inferredcites →https://doi.org/10.1016/s1093-3263(00)00068-1openalex-snapshot
A widely applicable set of descriptors
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inferredcites →https://doi.org/10.1021/ci000459copenalex-snapshot
Quantitative Structure−Activity Relationship Studies Using Gaussian Processes
inferredcites →https://doi.org/10.1021/ci010368vopenalex-snapshot
Prediction ofn-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-State Indices
inferredcites →https://doi.org/10.1021/ci020345wopenalex-snapshot
The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci0203803openalex-snapshot
Partially Unified Multiple Property Recursive Partitioning (PUMP-RP) Analyses of Cyclooxygenase (COX) Inhibitors
inferredcites →https://doi.org/10.1021/ci030304fopenalex-snapshot
A Universal Molecular Descriptor System for Prediction of LogP, LogS, LogBB, and Absorption
inferredcites →https://doi.org/10.1021/ci034215eopenalex-snapshot
New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them
inferredcites →https://doi.org/10.1021/ci980070dopenalex-snapshot
New QSAR Methods Applied to Structure−Activity Mapping and Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci980102xopenalex-snapshot
Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
inferredcites →https://doi.org/10.1021/ja00275a013openalex-snapshot
Electronegativity-equalization method for the calculation of atomic charges in molecules
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/jm000942eopenalex-snapshot
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
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Comparison of parameters currently used in the study of structure-activity relationships
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Broad-Based Quantitative Structure−Activity Relationship Modeling of Potency and Selectivity of Farnesyltransferase Inhibitors Using a Bayesian Regularized Neural Network
inferredcites →https://doi.org/10.1021/jm0498046openalex-snapshot
Native Atom Types for Knowledge-Based Potentials: Application to Binding Energy Prediction
inferredcites →https://doi.org/10.1021/jm980697nopenalex-snapshot
Robust QSAR Models Using Bayesian Regularized Neural Networks
inferredcites →https://doi.org/10.1021/jp0205463openalex-snapshot
The Electronegativity Equalization Method I: Parametrization and Validation for Atomic Charge Calculations
inferredcites →https://doi.org/10.1021/tx010101qopenalex-snapshot
Linear Regression and Computational Neural Network Prediction of Tetrahymena Acute Toxicity for Aromatic Compounds from Molecular Structure
inferredcites →https://doi.org/10.1021/tx9900627openalex-snapshot
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inferredcites →https://doi.org/10.1023/a:1027232610247openalex-snapshot
Novel software tools for chemical diversity
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inferred← citeshttps://doi.org/10.1080/10629360903438370openalex-snapshot
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