Abstract
There are many decisions and risks associated with the design and development of new pharmaceutical agents. To help improve decision-making, and reduce the associated risks - prior to synthesis, we have developed interactive webbrowser tools for: (i) tracking, searching, clustering and categorizing (by reactive moieties) chemical reactants, (ii) interactively assessing risks, either synthetic - based on prior experience, absorption following oral administration - based on rules of 5, or diversity, and (iii) a complete architecture for enumerating, analyzing, submitting and plating large combinatorial or small biased libraries. We believe the implementation of this highly interactive system has given our scientists a competitive advantage by maintaining their focus on the lowest risk, highest quality molecules throughout the research process.
Keywords: intellectual property (IP), dictate database (DB), IPAQ Transactions, computational techniques, library synthesis
Combinatorial Chemistry & High Throughput Screening
Title: Interactive Tools for Risk Reduction and Efficiency Improvements in Medicinal Chemistry
Volume: 9 Issue: 2
Author(s): Kevin C. Brogle, Cindy Lin and Paul R. Blake
Affiliation:
Keywords: intellectual property (IP), dictate database (DB), IPAQ Transactions, computational techniques, library synthesis
Abstract: There are many decisions and risks associated with the design and development of new pharmaceutical agents. To help improve decision-making, and reduce the associated risks - prior to synthesis, we have developed interactive webbrowser tools for: (i) tracking, searching, clustering and categorizing (by reactive moieties) chemical reactants, (ii) interactively assessing risks, either synthetic - based on prior experience, absorption following oral administration - based on rules of 5, or diversity, and (iii) a complete architecture for enumerating, analyzing, submitting and plating large combinatorial or small biased libraries. We believe the implementation of this highly interactive system has given our scientists a competitive advantage by maintaining their focus on the lowest risk, highest quality molecules throughout the research process.
Export Options
About this article
Cite this article as:
Brogle C. Kevin, Lin Cindy and Blake R. Paul, Interactive Tools for Risk Reduction and Efficiency Improvements in Medicinal Chemistry, Combinatorial Chemistry & High Throughput Screening 2006; 9 (2) . https://dx.doi.org/10.2174/138620706775541828
DOI https://dx.doi.org/10.2174/138620706775541828 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
Call for Papers in Thematic Issues
Artificial Intelligence Methods for Biomedical, Biochemical and Bioinformatics Problems
Recently, a large number of technologies based on artificial intelligence have been developed and applied to solve a diverse range of problems in the areas of biomedical, biochemical and bioinformatics problems. By utilizing powerful computing resources and massive amounts of data, methods based on artificial intelligence can significantly improve the ...read more
Eco-friendly Agents for Biological Control of Pathogenic Diseases
The discovery of an alternative biological approach to disease management includes work on medicinal products derived from natural sources as a starting point for the development of eco-friendly agents for these diseases and the injuries they cause, as well as reducing human contact with hazardous chemicals and their residues. We ...read more
Emerging trends in diseases mechanisms, noble drug targets and therapeutic strategies: focus on immunological and inflammatory disorders
Recently infectious and inflammatory diseases have been a key concern worldwide due to tremendous morbidity and mortality world Wide. Recent, nCOVID-9 pandemic is a good example for the emerging infectious disease outbreak. The world is facing many emerging and re-emerging diseases out breaks at present however, there is huge lack ...read more
Exploring Spectral Graph Theory in Combinatorial Chemistry
Scope of the Thematic Issue: Combinatorial chemistry involves the synthesis and analysis of a large number of diverse compounds simultaneously. Traditional methods rely on brute force experimentation, which can be time-consuming and resource-intensive. Spectral Graph Theory, a branch of mathematics dealing with the properties of graphs in relation to the ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Do Genetic Factors Predispose People to COVID-19: A Review Article
Current Molecular Medicine The Fate of Nanocarriers As Nanomedicines In Vivo: Important Considerations and Biological Barriers to Overcome
Current Medicinal Chemistry Cruzipain: An Update on its Potential as Chemotherapy Target against the Human Pathogen Trypanosoma cruzi
Current Medicinal Chemistry Editorial (Thematic Issue: Immunophilins, Protein Chemistry and Cell Biology of a Promising New Class of Drug Targets – Part II)
Current Molecular Pharmacology The Critical Role of microRNA-21 in Non-alcoholic Fatty Liver Disease Pathogenesis
Current Pharmaceutical Design Medicinal Chemistry of Ureido Derivatives as Anti-Infectives
Anti-Infective Agents in Medicinal Chemistry Chemical Biology: Past, Present and Future
Current Chemical Biology Tau as a Therapeutic Target for Alzheimers Disease
Current Alzheimer Research Unraveling the Structure and Function of G Protein-Coupled Receptors Through NMR Spectroscopy
Current Pharmaceutical Design Targeting Tumor Ubiquitin-Proteasome Pathway with Polyphenols for Chemosensitization
Anti-Cancer Agents in Medicinal Chemistry Optical Chemical Biosensors for High Throughput Screening of Drugs
Combinatorial Chemistry & High Throughput Screening A Simple Asymmetric Synthesis of 4-Substituted-2-Oxazolidinones
Letters in Organic Chemistry Adenosine in the Inflamed Gut: A Janus Faced Compound
Current Medicinal Chemistry 3-Substituted Isocoumarins as Thymidine Phosphorylase Inhibitors
Letters in Drug Design & Discovery 2(3)-Aryl-thio(oxy)-methylquinoxaline Derivatives: A New Class of P-Glycoprotein-Mediated Drug Efflux Inhibitors
Medicinal Chemistry Peptide Deformylase Inhibitors, Potential for a New Class of Broad Spectrum Antibacterials
Current Medicinal Chemistry - Anti-Infective Agents Molecular Landscape of Lung Epithelium Contributes to High Severity and Comorbidities for COVID-19 and Lung Cancer
Current Cancer Therapy Reviews The Antibacterial Activity of Quinazoline and Quinazolinone Hybrids
Current Topics in Medicinal Chemistry Spatial Interpolators for Intra-Frame Resampling of SAR Videos: A Comparative Study Using Real-Time HD, Medical and Radar Data
Current Signal Transduction Therapy Intestinal Targeting of Drugs: Rational Design Approaches and Challenges
Current Topics in Medicinal Chemistry