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Binary Formal Inference-Based Recursive Modeling Using Multiple Atom and Physicochemical Property Class Pair and Torsion Descriptors as Decision Criteria
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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/cem.1180050105openalex-snapshot
Generalized simulated annealing for calibration sample selection from an existing set and orthogonalization of undesigned experiments
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1002/qsar.19920110208openalex-snapshot
MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation Program
inferredcites →https://doi.org/10.1002/qsar.19970160404openalex-snapshot
Analysis of a Large Structure‐Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1007/s0089490050141openalex-snapshot
Encyclopedia of Computational Chemistry
inferredcites →https://doi.org/10.1016/1074-5521(95)90283-xopenalex-snapshot
Predicting ligand binding to proteins by affinity fingerprinting
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1016/s0165-6147(00)89046-xopenalex-snapshot
QSAR: Hansch analysis and related approaches
inferredcites →https://doi.org/10.1017/cbo9780511897375openalex-snapshot
Topics in Applied Multivariate Analysis
inferredcites →https://doi.org/10.1021/ac00193a006openalex-snapshot
Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry
inferredcites →https://doi.org/10.1021/ci00037a002openalex-snapshot
Multivariate quantitative structure-activity relationships (QSAR): conditions for their applicability
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci00046a003openalex-snapshot
Computer code for producing Eh-pH plots of equilibrium chemical systems
inferredcites →https://doi.org/10.1021/ci00054a008openalex-snapshot
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors
inferredcites →https://doi.org/10.1021/ci00063a011openalex-snapshot
Molecular identification number for substructure searches
inferredcites →https://doi.org/10.1021/ci00063a012openalex-snapshot
Topological organic chemistry. 1. Graph theory and topological indices of alkanes
inferredcites →https://doi.org/10.1021/ci60003a004openalex-snapshot
An Efficient Design for Chemical Structure Searching. I. The Screens
inferredcites →https://doi.org/10.1021/ci60006a012openalex-snapshot
Selection of Descriptors According to Discrimination and Redundancy. Application to Chemical Structure Searching
inferredcites →https://doi.org/10.1021/ci60006a013openalex-snapshot
Experimental Algorithmic Generation of Articulated Index Entries from Natural Language Phrases at Chemical Abstracts Service
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci950275bopenalex-snapshot
Chemical Similarity Using Geometric Atom Pair Descriptors
inferredcites →https://doi.org/10.1021/ci960039gopenalex-snapshot
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja00544a005openalex-snapshot
A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis
inferredcites →https://doi.org/10.1021/ja00544a006openalex-snapshot
Photoassisted water-gas shift reaction over platinized titanium dioxide catalysts
inferredcites →https://doi.org/10.1021/jm00014a022openalex-snapshot
Amino Acid Side Chain Descriptors for Quantitative Structure-Activity Relationship Studies of Peptide Analogs
inferredcites →https://doi.org/10.1021/jm00014a030openalex-snapshot
Analysis of a 29 Full Factorial Chemical Library
inferredcites →https://doi.org/10.1021/jm00035a001openalex-snapshot
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
inferredcites →https://doi.org/10.1021/jm00036a001openalex-snapshot
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
inferredcites →https://doi.org/10.1021/jm00059a003openalex-snapshot
Applications of neural networks in structure-activity relationships of a small number of molecules
inferredcites →https://doi.org/10.1021/jm00075a011openalex-snapshot
A Unified Framework for Using Neural Networks To Build QSARs
inferredcites →https://doi.org/10.1023/a:1008026308790openalex-snapshot
EVA: A new theoretically based molecular descriptor for use in QSAR/QSPR analysis
inferredcites →https://doi.org/10.1023/a:1008068904628openalex-snapshot
Feature trees: A new molecular similarity measure based on tree matching
inferredcites →https://doi.org/10.1080/00401706.1967.10490452openalex-snapshot
Applied Regression Analysis
inferredcites →https://doi.org/10.1080/00401706.1986.10488128openalex-snapshot
Generalized Simulated Annealing for Function Optimization
inferredcites →https://doi.org/10.1080/10629369808039140openalex-snapshot
Using Recursive Partitioning to Analyze a Large Sar Data Set
inferredcites →https://doi.org/10.1093/jnci/86.24.1853openalex-snapshot
Use of the Kohonen Self-organizing Map to Study the Mechanisms of Action of Chemotherapeutic Agents
inferredcites →https://doi.org/10.1109/icnn.1991.163368openalex-snapshot
Evolutionary methods for training neural networks
inferredcites →https://doi.org/10.1126/science.8346439openalex-snapshot
Genetic Algorithms: Principles of Natural Selection Applied to Computation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferred← citeshttps://doi.org/10.1007/s10822-006-9048-0openalex-snapshot
ADAAPT: Amgen's data access, analysis, and prediction tools
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.06.016openalex-snapshot
Chemometrics tools in QSAR/QSPR studies: A historical perspective
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2009.04.005openalex-snapshot
Inductive data mining based on genetic programming: Automatic generation of decision trees from data for process historical data analysis
inferred← citeshttps://doi.org/10.1016/s0165-7208(02)80014-9openalex-snapshot
Computational methods for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00089-4openalex-snapshot
(Q) SAR study on the metabolic stability of steroidal androgens
inferred← citeshttps://doi.org/10.1016/s1359-6446(03)02740-5openalex-snapshot
Chemical substructures in drug discovery
inferred← citeshttps://doi.org/10.1016/s1367-5931(00)00219-2openalex-snapshot
Visual and computational analysis of structure–activity relationships in high-throughput screening data
inferred← citeshttps://doi.org/10.1021/ci0342324openalex-snapshot
Feature Selection for Descriptor Based Classification Models. 1. Theory and GA-SEC Algorithm
inferred← citeshttps://doi.org/10.1021/ci700141xopenalex-snapshot
Chemical Data Mining of the NCI Human Tumor Cell Line Database
inferred← citeshttps://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferred← citeshttps://doi.org/10.1038/sj.tpj.6500116openalex-snapshot
Pharmacogenomic analysis: correlating molecular substructure classes with microarray gene expression data
inferred← citeshttps://doi.org/10.1080/00401706.2012.760489openalex-snapshot
Analysis of High-Dimensional Structure-Activity Screening Datasets Using the Optimal Bit String Tree
inferred← citeshttps://doi.org/10.1214/ss/1009213288openalex-snapshot
Sequential Approach for Identifying Lead Compounds in Large Chemical Databases
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