Topic: Algorithms
Journal: Journal of Chemical Information and Modeling
Documents
A list of abstracts that contain a topic of "Algorithms" and a journal name of "Journal of Chemical Information and Modeling".
A Fast Clustering Algorithm for Analyzing Highly Similar Compounds of Very Large Libraries.
PMID: 16995722
Radial Basis Function Network-based Transform for a Nonlinear Support Vector Machine As Optimized by a Particle Swarm Optimization Algorithm with Application to Qsar Studies.
PMID: 17555309
Prediction of Ion Channel Activity Using Binary Kernel Discrimination.
PMID: 17622131
Swift: an Index Structure for Reduced Graph Descriptors in Virtual Screening and Clustering.
PMID: 17567122
Supervised Feature Ranking Using a Genetic Algorithm Optimized Artificial Neural Network.
PMID: 16859292
Craack: Consensus Program for Nmr Amino Acid Type Assignment.
PMID: 16711771
Molecular Query Language (Mql)--a Context-free Grammar for Substructure Matching.
PMID: 17381167
The Blue Obelisk-interoperability in Chemical Informatics.
PMID: 16711717
The Pharmacophore Kernel for Virtual Screening with Support Vector Machines.
PMID: 16995731
Automated Pharmacophore Query Optimization with Genetic Algorithms - a Case Study Using the Mc4r System.
PMID: 17555310
A Cluster-based Strategy for Assessing the Overlap Between Large Chemical Libraries and Its Application to a Recent Acquisition.
PMID: 17125205
Linear Free Energy Relationship Correlation of the Distribution of Solutes Between Water and Sodium Dodecyl Sulfate (Sds) Micelles and Between Gas and Sds Micelles.
PMID: 17655286
Virtual Screening Using Binary Kernel Discrimination: Effect of Noisy Training Data and the Optimization of Performance.
PMID: 16562975
Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis.
PMID: 16995742
Prediction of Multiple Binding Modes of the Cdk2 Inhibitors, Anilinopyrazoles, Using the Automated Docking Programs Gold, Flexx, and Ligandfit: an Evaluation of Performance.
PMID: 17125195
Supervised Scoring Models with Docked Ligand Conformations for Structure-based Virtual Screening.
PMID: 17685604
Amino Acid Sequence Autocorrelation Vectors and Ensembles of Bayesian-regularized Genetic Neural Networks for Prediction of Conformational Stability of Human Lysozyme Mutants.
PMID: 16711745
Exploration of Cluster Structure-activity Relationship Analysis in Efficient High-throughput Screening.
PMID: 17480051
Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity-specific Fragment Hierarchies.
PMID: 17585755