Computational chemistry

PsychoGenics Announces Milestones Associated with Sunovion’s Advancing Pipeline

Retrieved on: 
Wednesday, October 30, 2019
General Health, Health, Clinical trials, Health sciences, Medicinal chemistry, Pharmaceutical sciences, Natural sciences, Cheminformatics, Drug discovery, Computational chemistry, Pharmacognosy, Sunovion, Structure–activity relationship, Quantitative structure–activity relationship, Chemist, SmartCube®–driven Drug Discovery, PsychoGenics Inc. and PGI Drug Discovery LLC

PsychoGenics and Sunovion initiated a collaboration in August 2007, with PsychoGenics evaluating a library of Sunovion compounds.

Key Points: 
  • PsychoGenics and Sunovion initiated a collaboration in August 2007, with PsychoGenics evaluating a library of Sunovion compounds.
  • SEP-378614 and SEP-380135 were optimized for in vivo activity by Sunovion medicinal chemists based on quantitative structure-activity relationship analysis, in collaboration with PsychoGenics.
  • PsychoGenics is entitled to receive payments upon Sunovions achievement of certain development milestones for SEP-363856, SEP-378608, SEP-378614 and SEP-380135, as well as, royalty payments for any sales of these compounds.
  • PsychoGenics Inc. and its discovery arm PGI Drug Discovery LLC (collectively known as PsychoGenics) have pioneered the translation of rodent behavioral and physiological responses into robust, high-throughput and high-content phenotyping.

WuXi AppTec Research Service Division and BioSolveIT Introduce GalaXi®, a Vast New Chemical Space of Tangible Molecules

Retrieved on: 
Friday, October 11, 2019
Natural sciences, Cheminformatics, Nature, WuXi AppTec, Chemistry, Computational chemistry, Building block, Chemical space

SHANGHAI and CAMBRIDGE, Massachusetts and SANKT AUGUSTIN, Germany, Oct. 10, 2019 /PRNewswire/ -- WuXi AppTec Research Service Division and BioSolveIT today launched a new virtual chemical space called GalaXi.

Key Points: 
  • SHANGHAI and CAMBRIDGE, Massachusetts and SANKT AUGUSTIN, Germany, Oct. 10, 2019 /PRNewswire/ -- WuXi AppTec Research Service Division and BioSolveIT today launched a new virtual chemical space called GalaXi.
  • Due to a carefully selected building block supply and proven chemistry, the GalaXi space consists of molecules that can be quickly synthesized on demand.
  • The game-changing element of this system lies in the design of a virtual chemical space that is both vast and practical in its synthetic feasibility.
  • "It is exciting to apply it to a tangible compound space through WuXi AppTec's vast chemistry expertise."

Qulab Announces Quleap, First Integrated AI Platform for Small Molecule Drug Design

Retrieved on: 
Wednesday, April 24, 2019
Articles, Academic disciplines, Natural sciences, Drug discovery, Emerging technologies, Medicinal chemistry, Chemistry, Induced stem cells, Drug design, Artificial intelligence, Computational chemistry, Quantum computing

LOS ANGELES, April 24, 2019 /PRNewswire-PRWeb/ --Qulab, a pharma-chemical company, today announced Quleap, the first integrated artificial intelligence (AI)-based platform for small molecule drug design.

Key Points: 
  • LOS ANGELES, April 24, 2019 /PRNewswire-PRWeb/ --Qulab, a pharma-chemical company, today announced Quleap, the first integrated artificial intelligence (AI)-based platform for small molecule drug design.
  • Alireza Shabani, Qulab Founder and CEO, said: "Current methods of drug discovery are reaching their productivity limits.
  • Quleap is an integration of automated small molecule design, synthesis planning, and a cloud engine for simulating biomolecules.
  • Currently focusing on small molecule drugs, Qulab is harnessing computational chemistry, artificial intelligence, and quantum computing to automate molecule design.

William Alexander Lester Jr., Ph.D., Recognized for Excellence in Chemistry

Retrieved on: 
Thursday, March 28, 2019
Physical sciences, Natural sciences, Chemistry, Computational chemistry, Quantum chemistry, Theoretical chemistry, Ab initio quantum chemistry methods, Monte Carlo method, Ab initio, Quantum Monte Carlo

OAKLAND, Calif., March 28, 2019 /PRNewswire/ --William Alexander Lester Jr., Ph.D., is a distinguished biographee of Marquis Who's Who.

Key Points: 
  • OAKLAND, Calif., March 28, 2019 /PRNewswire/ --William Alexander Lester Jr., Ph.D., is a distinguished biographee of Marquis Who's Who.
  • A Professor of Chemistry at the University of California, Berkeley, since 1981, Dr. Lester retired in 2010.
  • He is presently Professor Emeritus in the Department of Chemistry and Professor of the Graduate School.
  • Dr. Lester co-authored Monte Carlo Methods in Ab Initio Quantum Chemistry and edited or co-edited volumes in the series, Recent Advances in Quantum Monte Carlo Methods.

Cequence Security Takes 2019 Merchant Risk Council Technology Awards Honors

Retrieved on: 
Tuesday, March 26, 2019
Technology, Online Retail, Data management, Hardware, Internet, Networks, Software, Security, Mobile, Wireless, Professional services, Banking, Finance, Retail, Other Retail, Computational chemistry, MRC, Structural biology, Risk, Academic disciplines, Articles

Cequence Security, a provider of innovative application security solutions for todays hyper-connected enterprises, today announced that the Merchants Risk Council named the companys bot detection platform a winner of the 2019 MRC Technology Awards at the annual MRC Vegas 2019 Conference.

Key Points: 
  • Cequence Security, a provider of innovative application security solutions for todays hyper-connected enterprises, today announced that the Merchants Risk Council named the companys bot detection platform a winner of the 2019 MRC Technology Awards at the annual MRC Vegas 2019 Conference.
  • View the full release here: https://www.businesswire.com/news/home/20190326005258/en/
    Markus Bergthaler, Global Director of Programs and Marketing, Merchant Risk Council (MRC), presenting the MRC Technology Award to Ameya Talwalkar, Co-founder and CPO, Cequence Security (Photo: Business Wire)
    Cequence Securitys CQ botDefense solution, which runs on the Cequence Application Security Platform, was recognized for its unmatched ability to automatically detect and defend against malicious bot attacks, including those targeting on-line retail businesses.
  • Cequence Security was also named a 2018 Gartner Cool Vendor and has amassed several prestigious awards and recognitions in 2019.
  • As an independent, not-for-profit business association, the Merchant Risk Council's mission is to facilitate collaboration between eCommerce payments and risk professionals.

Global Chemoinformatics Market to Grow at Approx 18.7% During 2019-2024 - Growth Propelled by Innovations & Advancements in the Drug Development Process and Increased Demand of Personalized Medicine - ResearchAndMarkets.com

Retrieved on: 
Tuesday, March 12, 2019
Health, Biotechnology, Academic disciplines, Computational chemistry, Drug discovery, Articles, Cheminformatics, Innovation

The global chemoinformatics market is expected to register a CAGR of nearly 18.7% during the forecast period, 2019-2024.

Key Points: 
  • The global chemoinformatics market is expected to register a CAGR of nearly 18.7% during the forecast period, 2019-2024.
  • The propelling factors for the growth of the global chemoinformatics market include the innovations and advancements in the drug development process and increased demand of personalized medicine.
  • The ever increasing growth of the drug development market is likely to boost the demand for chemoinformatics, owing to its numerous applications in drug designing at various stages.
  • This serves as a compelling factor for new drug development, which promotes a positive impact on the growth of the global chemoinformatics market.

Chemoinformatics - Global Market Growth, Trends and Forecast (2019-2024): Chemical Analysis Expected to Grow at the Fastest Rate

Retrieved on: 
Wednesday, March 13, 2019
Academic disciplines, Fields of mathematics, Applied mathematics, Drug discovery, Cheminformatics, Computational chemistry, Compound annual growth rate, Forecast period

DUBLIN, March 13, 2019 /PRNewswire/ -- The "Chemoinformatics Market - Growth, Trends, and Forecast (2019 - 2024)" report has been added to ResearchAndMarkets.com's offering.

Key Points: 
  • DUBLIN, March 13, 2019 /PRNewswire/ -- The "Chemoinformatics Market - Growth, Trends, and Forecast (2019 - 2024)" report has been added to ResearchAndMarkets.com's offering.
  • The global chemoinformatics market is expected to register a CAGR of nearly 18.7% during the forecast period, 2019-2024.
  • The propelling factors for the growth of the global chemoinformatics market include the innovations and advancements in the drug development process and increased demand of personalized medicine.
  • Therefore it is expected that over the course of time, there may be an influx of well-established players in the chemoinformatics market.

Big Data And Innovative Software Help ANGUS Enhance Safety Evaluation During New Product Development

Retrieved on: 
Thursday, June 28, 2018
Economy, Cheminformatics, Computational chemistry, Drug discovery, Toxicology, Analytics, Data

ANGUS Chemical Company ("ANGUS"), a leading global manufacturer and marketer of specialty and fine chemicals, is turning to "big data" and the use of UL's Cheminformatics suite, which includes REACHAcross, a predictive toxicology tool from UL's Product Supply Chain Intelligence division (PSI) to enhance its ability to evaluate safety early in the new product development process.

Key Points: 
  • ANGUS Chemical Company ("ANGUS"), a leading global manufacturer and marketer of specialty and fine chemicals, is turning to "big data" and the use of UL's Cheminformatics suite, which includes REACHAcross, a predictive toxicology tool from UL's Product Supply Chain Intelligence division (PSI) to enhance its ability to evaluate safety early in the new product development process.
  • UL's Cheminformatics suite was initially launched in March 2017 with REACHAcross and now includes both the Green Chemistry and R-SDS modules.
  • "The initial intent with our REACHAcross tool was to help companies fill data gaps in REACH dossiers," said Carlos Correia, Vice President, UL's PSI division.
  • "For years, we've monitored how data and analytics can make chemical development more efficient," added Spencer.