Chemoinformatics and artificial intelligence for biological activity prediction
Today’s biology is without a doubt very different from yesterday’s biology. Big data and artificial intelligence have now revolutionized our scientific approach. New chemoinformatics technologies, when applied to biology and the prediction of structure-activity relations, are part of this revolution.
Chemoinformatics and in silico virtual screening techniques have become very powerful tools for identifying active molecules and biological targets. They allow the screening of a large number of compounds and the prediction of biological activity and molecule efficacy at an early stage. This approach makes it possible to rationalize in vitro and clinical evaluations and so to maximize their success rates.
Some key figures
of confirmed predictions
by using chemoinformatics
Evaluate the potential of your active ingredients
of your extracts.
Characterize the phytochemical composition
of your molecules.
Predict the activity
Boost your R&D efficacy with virtual screening and phytochemical profiling:
- Characterize the phytochemical composition of your extracts
- Identify active molecules
- Find targets that can interact with your molecules or molecules that can act on your targets
- Determine biological activities and principal applications
- Discover new applications of known molecules and reposition your products
- Select new candidates
- Discover new molecules
- Select the most relevant in vitro assays
- Innovate and differentiate your marketing offer
- Sustain your patent applications
- Develop original scientific files
Enjoy the benefits of an innovative chemoinformatics technology based on original tools and a worldwide unique database:
GPDB : a worldwide unique database. This database is the fruit of many years of research and scientific publications. It comprises more than 300,000 natural compound structures, 160,000 organisms, 13,000 biological properties and 54,000 traditional uses. Read more
SELNERGY : a highly effective tool for virtual screening by in silico technology, based on two complementary approaches (SBVS and LBVS). It allows the rapid screening of potentially active molecules, the prediction of their biological activity and their potential cosmetics applications. This tool can assist you with decision making in an effective way so that you can select the best candidates for subsequent in vitro assays. Read more
GAINS : a metabolic profiling tool, which combines analytical chemistry and chemoinformatics. It allows the characterization of the phytochemical composition of an extract and the identification of its potentially active molecules. Read more
SELNERGY is an in silico screening tool for biological applications. It allows the digital modelling of interactions between chemical molecules (active or inactive molecules – ligands) and their biological targets (proteins, enzymes etc.). SELNERGY is a powerful prospective tool to virtually guide you along the different potential R&D choices to be made…
GAINS is a phytochemical analysis and metabolic profiling tool that makes it possible to characterize the composition of your extracts at a molecular scale and to succeed in identifying the candidates. It brings together information technology tools (chemoinformatics) and chemistry techniques. This innovative and robust analysis tool allows a faster and more effective characterization of your extracts. GAINS gives you a better understanding of your ingredients and helps you make the best use of their functionalities…
GPDB is an innovative and robust ethnopharmacological database. It is the fruit of many years of research and scientific publications. It comprises the results of biological assays completed on plant extracts and isolated molecules as well as data derived from numerous patents, scientific reviews and worldwide pharmacopeia…