by Payash Bahuguna | Sep 19, 2023 | Article
Generative models are frequently used for de novo design in drug discovery projects to propose new molecules. However, the question of whether or not the generated molecules can be synthesized is not systematically taken into account during generation, even though...
by Payash Bahuguna | Jul 25, 2023 | Article
LaBiotech.eu has mentioned Iktos in an interesting article on how Artificial Intelligence (AI) is being used in almost every professional industry, including biotechnology and drug discovery. Follow the link to read the full...
by Payash Bahuguna | Jun 29, 2023 | Article
Generative models are being increasingly used in drug discovery, very often coupled with absorption, distribution, metabolism, and excretion (ADME) bioassays or quantitative structure–activity relationship (QSAR) models to optimize a given set of properties. The...
by Payash Bahuguna | Feb 15, 2023 | Article
Identification of novel chemotypes with biological activity similar to a known active molecule is an important challenge in drug discovery called ‘scaffold hopping’. Small-, medium-, and large-step scaffold hopping efforts may lead to increasing degrees of chemical...
by Payash Bahuguna | Oct 14, 2022 | Article
Federated multi-partner machine learning can be an appealing and efficient method to increase the effective training data volume and thereby the predictivity of models, particularly when the generation of training data is resource intensive…follow the link to...
by Payash Bahuguna | May 31, 2022 | Article
Successful small-molecule drug design requires a molecular target with inherent therapeutic potential and a molecule with the right properties to unlock its potential. Present-day drug design strategies have evolved to leave little room for improvement in drug-like...