There is a great need for innovative new medicines to treat unmet medical needs. The
discovery and development of innovative new medicines is extremely difficult, costly, and …

This article summarizes the evolution of the screening deck at the Novartis Institutes for
BioMedical Research (NIBR). Historically, the screening deck was an assembly of all …

Deep learning-based molecular generation has extensive applications in many fields,
particularly drug discovery. However, the majority of current deep generative models are …

Ultrahigh-throughput virtual screening (uHTVS) is an emerging field linking together
classical docking techniques with high-throughput AI methods. We outline mechanistic …

Experimental screening of large sets of compounds against macromolecular targets is a key
strategy to identify novel bioactivities. However, large-scale screening requires substantial …

Експериментально в лабораторних умовах здійснено синтез потенційних активних
фармацевтичних інгредієнтів (АФІ), де як активний фармакофор було обрано похідні …

У лабораторних умовах експериментально синтезована група потенційних активних
фармацевтичних інгредієнтів (АФІ). В якості активної фармакологічної молекули обрані …

Computational methods to predict the macromolecular targets of small organic drugs and
drug-like compounds play a key role in early drug discovery and drug repurposing efforts …

Hepatitis B virus (HBV) infection is widespread and a major public health concern. Primary
infection outside the newborn period is usually selflimiting, but a subset of infected …

A prerequisite for initiating drug discovery projects is to have a deep understanding of the
signaling processes which underlie diseases. A recent article analyzing success rates in …