Biological spectra analysis: Linking biological activity profiles to molecular structure. - Wikidata - awgldk - TriplyDB

Biological spectra analysis: Linking biological activity profiles to molecular structure.

Biological spectra analysis: Linking biological activity profiles to molecular structure.

http://www.wikidata.org/entity/Q33569085

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Systematic reviews of animal models: methodology versus epistemology.WebProAnalyst: an interactive tool for analysis of quantitative structure-activity relationships in protein families.The Nuremberg Code subverts human health and safety by requiring animal modeling Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants ClassyFire: automated chemical classification with a comprehensive, computable taxonomy In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators Network-based relating pharmacological and genomic spaces for drug target identification Spiroindolines identify the vesicular acetylcholine transporter as a novel target for insecticide action Discovering associations in biomedical datasets by link-based associative classifier (LAC)Drug target identification using side-effect similarity Relating Chemical Structure to Cellular Response: An Integrative Analysis of Gene Expression, Bioactivity, and Structural Data Across 11,000 Compounds.Exploiting Pharmacological Similarity to Identify Safety Concerns - Listen to What the Data Tells You.Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.A comparison of machine learning algorithms for chemical toxicity classification using a simulated multi-scale data model.Systems chemical biology Data-driven methods to discover molecular determinants of serious adverse drug events.Connecting synthetic chemistry decisions to cell and genome biology using small-molecule phenotypic profiling.Predicting adverse drug reactions using publicly available PubChem BioAssay data Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.Differentiation and visualization of diverse cellular phenotypic responses in primary high-content screening.Target identification and mechanism of action in chemical biology and drug discovery.Connecting Small Molecules with Similar Assay Performance Profiles Leads to New Biological Hypotheses.Contributions of molecular biology to antipsychotic drug discovery: promises fulfilled or unfulfilled?Adaptation of high-throughput screening in drug discovery-toxicological screening tests.In silico pharmacology for drug discovery: applications to targets and beyond In Silico Study of In Vitro GPCR Assays by QSAR Modeling.Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors.ChemBank: a small-molecule screening and cheminformatics resource database Computational systems chemical biology.Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes.High-throughput in vitro profiling assays: lessons learnt from experiences at Novartis.High-throughput electronic biology: mining information for drug discovery.The expanding role of predictive toxicology: an update on the (Q)SAR models for mutagens and carcinogens.TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database.Opportunities and challenges of psychiatric drug discovery: roles for scientists in academic, industry, and government settings.Development of the Theta Comparative Cell Scoring Method to Quantify Diverse Phenotypic Responses Between Distinct Cell Types.bioassayR: Cross-Target Analysis of Small Molecule Bioactivity.A generalizable pre-clinical research approach for orphan disease therapy Ligand-receptor interaction platforms and their applications for drug discovery.Exploitation of genomics in fungicide research: current status and future perspectives.

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P2860

Biological spectra analysis: Linking biological activity profiles to molecular structure.

http://www.wikidata.org/entity/Q33569085

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2004 nî lūn-bûn

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2004 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած

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2004 թվականի դեկտեմբերին հրատարակված գիտական հոդված

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2004年の論文

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2004年学术文章

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2004年学术文章

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2004年学术文章

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2004年学术文章

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2004年學術文章

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Biological spectra analysis: Linking biological activity profiles to molecular structure.

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Biological spectra analysis: Linking biological activity profiles to molecular structure.

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Biological spectra analysis: Linking biological activity profiles to molecular structure.

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Biological spectra analysis: Linking biological activity profiles to molecular structure.

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Proceedings of the National Academy of Sciences of the United States of America

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Biological spectra analysis: Linking biological activity profiles to molecular structure.

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P2093

Anton F Fliri

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Peter F Thadeio

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Robert A Volkmann

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William T Loging

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P2860

Crystal structure of rhodopsin: A G protein-coupled receptor

Predicting ligand binding to proteins by affinity fingerprinting.

Pharmacogenomic analysis: correlating molecular substructure classes with microarray gene expression data.

Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening.

Predicting ADME properties and side effects: the BioPrint approach.

How similar are P450s and what can their differences teach us?

(Extra)thermodynamics of the drug-receptor interaction.

Emerging array-based technologies in proteomics.

Reverse engineering of biological complexity.

Prioritizing the proteome: identifying pharmaceutically relevant targets.

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10.1073/PNAS.0407790101

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102

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8106074

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15625110

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molecular geometry

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539313

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