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Feature Selection for Descriptor Based Classification Models. 2. Human Intestinal Absorption (HIA)
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Practical Statistics for Medical Research
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A Novel Approach for Prediction of Intestinal Absorption of Drugs in Humans based on Hydrogen Bond Descriptors and Structural Similarity
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Rapid Prediction of Human Intestinal Absorption
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Intestinal Absorption: The Role of Polar Surface Area
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Handbook of Molecular Descriptors
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Partial Least Squares (PLS) in Cheminformatics
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A systematic evaluation of the benefits and hazards of variable selection in latent variable regression. Part II. Practical applications
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Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure–activity relationship (QSAR) with the Abraham descriptors
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Classification Structure-Activity Relations (C-SAR) in Prediction of Human Intestinal Absorption
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Multivariate structure‐activity relationships between data from a battery of biological tests and an ensemble of structure descriptors: The PLS method
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A Decision-Theoretic Generalization of On-Line Learning and an Application to Boosting
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The Nature of Statistical Learning Theory
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Data Mining: Practical Machine Learning Tools and Techniques
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PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases
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Topological Approach to Analgesia
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Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm
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Toward an Optimal Procedure for Variable Selection and QSAR Model Building
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Using General Regression and Probabilistic Neural Networks To Predict Human Intestinal Absorption with Topological Descriptors Derived from Two-Dimensional Chemical Structures
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Genetic Algorithm Applied to the Selection of Factors in Principal Component-Artificial Neural Networks: Application to QSAR Study of Calcium Channel Antagonist Activity of 1,4-Dihydropyridines (Nifedipine Analogous)
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Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method
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Feature Selection for Descriptor Based Classification Models. 1. Theory and GA-SEC Algorithm
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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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ESCHERA Computer Program for the Determination of External Rotational Symmetry Numbers from Molecular Topology
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Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure
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Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets
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QSAR Model for Drug Human Oral Bioavailability
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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
inferredcites →https://doi.org/10.1021/jm001101aopenalex-snapshot
Experimental and Computational Screening Models for the Prediction of Intestinal Drug Absorption
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Graphical Model for Estimating Oral Bioavailability of Drugs in Humans and Other Species from Their Caco-2 Permeability and in Vitro Liver Enzyme Metabolic Stability Rates
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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Absorption Classification of Oral Drugs Based on Molecular Surface Properties
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Physicochemical High Throughput Screening: Parallel Artificial Membrane Permeation Assay in the Description of Passive Absorption Processes
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In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict In Vivo (Small Intestinal) Absorption in Man—Fact or Myth
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Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
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Gene Selection for Cancer Classification using Support Vector Machines
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Octanol/Water Partition Coefficients
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