Cheminformatics

Simulations Plus Extends Collaboration with Major Toxicology Research Agency

Retrieved on: 
Thursday, February 15, 2024
Health, Technology, Software, Research, Science, Pharmaceutical, Biotechnology, SLP, Environ, Division, Metabolism, Toxicology, Toxicity, North American Menopause Society, Absorption, Biopharmaceutical, Animal, NIEHS, Skin, Risk, Vivo, ADMET, Safety, DTT, Computation, Cheminformatics, Environmental health, Pharmacokinetics, Simulations Plus, Child, Machine learning, Human, Environment, Pharmaceutical industry

“At NIEHS, we seek to expand scientific knowledge and approach methods linking the environment and human health.

Key Points: 
  • “At NIEHS, we seek to expand scientific knowledge and approach methods linking the environment and human health.
  • “Importantly, these tools are being investigated for their potential to address a critical gap in toxicology research for understanding and modeling human bioactivation of environmental chemicals through xenobiotic metabolism,” Ferguson added.
  • Principal Scientist in the Cheminformatics Solutions team at Simulations Plus.
  • It is the leading physiologically based pharmacokinetic/physiologically based biopharmaceutics modeling (PBPK/PBBM) platform, built and refined over 25 years on the most up-to-date scientific research.

Cadence Expands Pfizer’s License to Molecular Design Software

Retrieved on: 
Wednesday, October 25, 2023
Biotechnology, Technology, Health, Pharmaceutical, Semiconductor, Other Science, Software, Artificial Intelligence, Science, Hardware, Electronic Design Automation, Cadence Design Systems, Digital, Cheminformatics, OpenEye Scientific Software, La Trobe Institute for Molecular Science, Doctor of Philosophy, Research, Pharmaceutical industry, Pfizer

Cadence Molecular Sciences (OpenEye)—a business unit of Cadence Design Systems (Nasdaq: CDNS)—announced today that Pfizer Inc. has signed an agreement to extend and expand access to Cadence® products and programming toolkits for advanced molecular design.

Key Points: 
  • Cadence Molecular Sciences (OpenEye)—a business unit of Cadence Design Systems (Nasdaq: CDNS)—announced today that Pfizer Inc. has signed an agreement to extend and expand access to Cadence® products and programming toolkits for advanced molecular design.
  • “We’re excited to continue to support Pfizer as they innovate across their therapeutic portfolio, utilizing this unique set of research tools to aid in their early-stage drug discovery process,” said Anthony Nicholls, PhD, corporate vice president, Cadence Molecular Sciences.
  • The software is used by major pharmaceutical and biotech companies worldwide to help accelerate and advance therapeutic research.
  • To learn more about Cadence Molecular Sciences (OpenEye) and its technologies, please visit https://www.cadence.com/openeye .

Laboratory Automation Market Experiencing Remarkable Growth Driven by Technology Advancements

Retrieved on: 
Tuesday, October 24, 2023
LIMS, Informatics, Food industry, Pesticide, Government, Biotechnology, SDMS, United Nations, Automation, Cosmetics, ELISA, Cheminformatics, Laboratory information management system, Growth, Drinking water, Drug discovery, Soil, ELN, Fine chemical

DUBLIN, Oct. 24, 2023 /PRNewswire/ -- The "Growth Opportunities in the Laboratory Automation Market" report has been added to ResearchAndMarkets.com's offering.

Key Points: 
  • DUBLIN, Oct. 24, 2023 /PRNewswire/ -- The "Growth Opportunities in the Laboratory Automation Market" report has been added to ResearchAndMarkets.com's offering.
  • The laboratory automation market is witnessing remarkable growth as it harnesses a variety of technologies, software solutions, and equipment to automate laboratory processes and workflows.
  • This market encompasses a wide range of products and solutions that bolster laboratory productivity, accuracy, and efficiency while minimizing errors and elevating data quality.
  • The demand for laboratory automation is notably driven by applications in drug discovery within pharmaceuticals, life sciences, and the food industry.

Peter Madrid, Head of Scientific Discovery at Synfini, Joins Other Expert Speakers to Lead a National Academies of Sciences Workshop on AI for Scientific Discovery 

Retrieved on: 
Wednesday, October 11, 2023
National academy, AI, Observational comedy, National Academies of Sciences, Engineering, and Medicine, Journal, Science, Drug discovery, Journal of Chemical Information and Modeling, Cheminformatics, Medical device, Engineering, Medicine

MENLO PARK, Calif., Oct. 11, 2023 (GLOBE NEWSWIRE) -- Synfini, Inc. , a pioneer in agile chemistry whose advanced, automated molecular discovery platform is transforming drug discovery, today announced that Peter Madrid, Synfini’s Head of Scientific Discovery, will join other expert speakers to lead a workshop titled “AI for Scientific Discovery” , October 12.

Key Points: 
  • MENLO PARK, Calif., Oct. 11, 2023 (GLOBE NEWSWIRE) -- Synfini, Inc. , a pioneer in agile chemistry whose advanced, automated molecular discovery platform is transforming drug discovery, today announced that Peter Madrid, Synfini’s Head of Scientific Discovery, will join other expert speakers to lead a workshop titled “AI for Scientific Discovery” , October 12.
  • Hosted by The National Academies of Sciences, Engineering, and Medicine, the workshop will explore the future of AI-driven physical experimentation and discuss the technology and opportunities that are on the horizon.
  • The goal for this meeting is to explore the future of AI in terms of its role as an autonomous researcher performing scientific discovery.
  • This includes where AI stands, where it needs to go, and which disciplines should have increased investment for use by AI scientists.

Enable Cheminformatics and Bioinformatics in Microsoft Office

Retrieved on: 
Tuesday, September 19, 2023
Cheminformatics, Data management, Informatics, Microsoft Office, Microsoft PowerPoint, Therapy, Workflow, Microsoft, Research, Doctor of Philosophy, MS, Chemistry, HELM, Microsoft Excel, CAS, Biology, IDS, Typesetting

TM4O represents an advancement in the realm of cheminformatics and bioinformatics within the Microsoft Office suite, providing researchers and professionals with a comprehensive platform for interfacing with internal and external databases while working seamlessly in applications like Excel, Word, and PowerPoint.

Key Points: 
  • TM4O represents an advancement in the realm of cheminformatics and bioinformatics within the Microsoft Office suite, providing researchers and professionals with a comprehensive platform for interfacing with internal and external databases while working seamlessly in applications like Excel, Word, and PowerPoint.
  • Unleash the potential of MS Office with seamless integration of advanced chem-bioinformatics capabilities.
  • "TouchMol4Office with the enablement of HELM technology will empower scientists to explore a wide variety of therapeutics modalities right inside Microsoft Office applications, a daily staple in research environments," says Jinbo Lee, PhD, CEO at Scilligence Corporation.
  • For more information about TouchMol4Office and how it can transform your research and data management processes, please visit www.scilligence.com .

Simulations Plus Releases ADMET Predictor® 11

Retrieved on: 
Thursday, July 13, 2023
Data Management, Health, Technology, Health Technology, Software, General Health, Biotechnology, Drug development, PKA, Cheminformatics, SLP, 3D, DDI, Simulations Plus, Chemistry, Machine learning, ADMET, Drug discovery, Biology, Medical device

Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation solutions for the pharmaceutical and biotechnology industries, today announced the release of ADMET Predictor® 11, its flagship machine learning modeling platform.

Key Points: 
  • Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation solutions for the pharmaceutical and biotechnology industries, today announced the release of ADMET Predictor® 11, its flagship machine learning modeling platform.
  • The latest version of ADMET Predictor includes:
    “The advancements the team incorporated into ADMET Predictor 11 enable us to seamlessly connect research endeavors across biology, chemistry, and early drug development phases,” stated Dr. David Miller , Vice President of ADMET Cheminformatics.
  • “However, it is important to recognize that rapid and reliable predictions cannot be achieved through machine learning alone.
  • “The latest advancements enable our users to complement high-throughput pharmacokinetic (HTPK) simulations with rapid assessment of drug-drug interaction (DDI) liabilities, powering the novel selection of clinical candidates.

The Inner Circle Acknowledges, Toks Adekoya as a Top Pinnacle Professional for her contributions to the field of Risk Management

Retrieved on: 
Friday, June 16, 2023
University, Federal, Delta Air Lines, SR117, Adekoya, American Express, Manchester Metropolitan University, Mentorship, UMIST, Inner circle, Certification, CHIEF, Federal Reserve, Collection, GARP, Risk management, Master, University of Manchester Institute of Science and Technology, Chemical engineering, Management, Cheminformatics, Chemistry

LIVINGSTON, N.J., June 16, 2023 /PRNewswire/ -- Prominently featured in The Inner Circle, Toks Adekoya is acknowledged as a Top Pinnacle Professional for her contributions to the field of Risk Management.

Key Points: 
  • LIVINGSTON, N.J., June 16, 2023 /PRNewswire/ -- Prominently featured in The Inner Circle, Toks Adekoya is acknowledged as a Top Pinnacle Professional for her contributions to the field of Risk Management.
  • Dr. Adekoya began her academic journey at The Manchester Metropolitan University where she earned a Bachelor of Science degree in Chemistry.
  • She then attended the University of Manchester Institute of Science and Technology (UMIST) where she received a Master's degree in Cheminformatics.
  • The doctor credits her success to her excellent mentors, not being scared to fail, and always doing her best.

Using Machine Learning to Find High Potential Lead Molecules, Upcoming Webinar Hosted by Xtalks

Retrieved on: 
Monday, May 15, 2023
Cheminformatics, Drug discovery, Learning, AI, ML, Medicine, Patient, SARS, Machine learning, Map, SAR, Doctor of Philosophy, QSAR, Pharmaceutical industry

TORONTO, May 15, 2023 /PRNewswire-PRWeb/ -- The promise of machine learning to dramatically reduce timelines in a lengthy drug discovery process is exciting, but it relies on the ability to generate a trusted set of empirical data and the continuous iteration of models.

Key Points: 
  • The featured speakers will discuss how leading-edge machine learning and cheminformatics tools enable medicinal chemists to identify the most advanceable lead molecules and optimize for clinical success.
  • This dose-response data allows library-wide SAR characterizations, empowering deep-learning QSAR model predictions and novel lead generation.
  • They also explore the molecular space not previously examined and create predictions to streamline optimization toward higher potential lead molecules.
  • Join this webinar to learn how custom chemistry and machine learning bring medicines to patients faster.

Worldwide Cheminformatics Industry to 2027 - by Application, End-user and Region - ResearchAndMarkets.com

Retrieved on: 
Monday, November 14, 2022
Health, Chemicals, Plastics, Manufacturing, Other Science, Research, Science, Pharmaceutical, Investment, R, Conditional sentence, Toxicity, Research, Application, Growth, Public health, Drug discovery, Risk, Pharmaceutical industry, Fine chemical, Cheminformatics

The "Global Cheminformatics Market by Application, End-user, Company, and Region: Competition Forecast and Opportunities to 2027" report has been added to ResearchAndMarkets.com's offering.

Key Points: 
  • The "Global Cheminformatics Market by Application, End-user, Company, and Region: Competition Forecast and Opportunities to 2027" report has been added to ResearchAndMarkets.com's offering.
  • The major factors like increasing awareness of personalized medicine combined with unsustainable liability of chronic disease are propelling the growth of global cheminformatics market.
  • Moreover, due to the awareness of personalized drugs among people, a sudden increase in usage of stratified medicines has made a positive influence on the cheminformatics market.
  • The increased awareness regarding the personalized medicines and surge in chronic diseases is driving the Cheminformatics market growth, globally.

Latham BioPharm Group Announces Publication of Team Member's Paper in Leading Scientific Journal

Retrieved on: 
Wednesday, September 21, 2022
JCIM, Journal, Doctor of Philosophy, Risk and strategic consulting, Free energy perturbation, Organization, New product development, Cros, FEP, Deep learning, Journal of Chemical Information and Modeling, RA, Grade (consulting), Cheminformatics, LBG, Drug discovery, AlphaFold, Medical device, Pharmaceutical industry

BALTIMORE, Sept. 21, 2022 /PRNewswire/ -- Latham Biopharm Group (LBG), in collaboration with researchers from RA Capital Management and Nostrum Biodiscovery, recently published a paper in the Journal of Chemical Information and Modeling (JCIM).

Key Points: 
  • BALTIMORE, Sept. 21, 2022 /PRNewswire/ -- Latham Biopharm Group (LBG), in collaboration with researchers from RA Capital Management and Nostrum Biodiscovery, recently published a paper in the Journal of Chemical Information and Modeling (JCIM).
  • The paper, which is titled " Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations?
  • Application of FEP+ to AlphaFold2-Predicted Structures ," was written by LBG team member Thijs Beuming , Ph.D., Principal Consultant, and several co-authors.
  • A peer-reviewed scientific journal, the Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling.It is regarded as the leading journal for computer-aided drug design.