Satellite Banner
Technology
Networks
Scientific Communities
 
Become a Member | Sign in
Home>Events>This Event
  Events - November 2012


Simulations Plus Workshop on Computational Tools for Drug Discovery, Lead Optimization and ADMET Property Modeling & Estimation

05 Nov 2012 - 07 Nov 2012 - Boston, Massachusetts, USA



Bookmark and Share


This three-day, hands-on training course will focus on the use of state-of-the-art cheminformatics and machine-learning software for de novo design and optimization of preclinical candidates that have both good target potency and acceptable ADMET properties. Attendees will be guided through a drug discovery and lead optimization process that begins with high throughput screening data and ends with candidates ready to enter preclinical animal studies. Students in the course will leave with a working knowledge of theory and application of high throughput screening analysis via class generation, R-group analysis, activity cliff detection, QSAR/QSPR model generation, property visualization (2D & 3D), and prediction of important ADMET properties - including sites and rates of CYP metabolism, and potential toxicities. De novo molecule design methods will include R-Table Exploder™, reaction engine, and scaffold hopping. 



Further information
Scientific News
Liquid Biopsies: Miracle Diagnostic or Next New Fad?
Thanks to the development of highly specific gene-amplification and sequencing technologies liquid biopsies access more biomarkers relevant to more cancers than ever before.
Flu Vaccine May Reduce Risk of Death For Type 2 Diabetes Patients
Researchers at Imperial College London have suggested that the vaccine may have substantial benefits for patients with long-term conditions.
Cancer Gene-Drug Combinations Ripe for Precision Medicine
The study aims to expand the number of cancer gene mutations that can be pair with a precision therapy.
Porphyrins as Catalysts in Scalable Organic Reactions
This review covers the most relevant scalable porphyrin-catalysed procedures, showing how these compounds represent broad applications in chemistry.
Core-Shell Columns in HPLC: Food Analysis Applications
Explore the most recent applications of core-shell columns in food analysis.
Review of the Analysis of Haemoglobin A1c for Diabetes Diagnostics
This paper aims to clarify methods, units, quality requirements, reference and cutoff limits for hemoglobin A1c (HbA1c) and ratio of blood glucose/HbA1c on the basis of the results from Finnish quality control surveys by comparing them to the literature.
Colon Cancer Blocked in Mice
Case Western Reserve University Researchers block common type of colon cancer tumour in mice, laying groundwork for human clinical trial.
New Centre Offers Ultra-Speed Protein Analysis
UW-Madison researchers to establish development centre for next-gen protein measurement technologies.
Disrupting Tumour-Promotion in Humans
Researchers have modified an existing protein to represses a specific cancer-promoting ‘message’ within cells.
Protein Nanocages Could Improve Drug Design and Delivery
HHMI scientists have designed and built 10 large protein icosahedra that are similar to viral capsids that carry viral DNA.
Scroll Up
Scroll Down
Skyscraper Banner

Skyscraper Banner
Go to LabTube
Go to eposters
 
Access to the latest scientific news
Exclusive articles
Upload and share your posters on ePosters
Latest presentations and webinars
View a library of 1,800+ scientific and medical posters
3,300+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
4,800+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FOR FREE!