Can Machine Learning Overcome the 95% Failure Rate and Reality that Only 30% of Approved Cancer Drugs Meaningfully Extend Patient Survival?
D Sun, C Macedonia, Z Chen… - Journal of Medicinal …, 2024 - ACS Publications
Despite implementing hundreds of strategies, cancer drug development suffers from a 95%
failure rate over 30 years, with only 30% of approved cancer drugs extending patient …
failure rate over 30 years, with only 30% of approved cancer drugs extending patient …
vEXP: A virtual enhanced cross screen panel for off-target pharmacology alerts
We describe the development of the GSK vEXP (virtual enhanced cross screen panel) for off-
target pharmacology alerts. The derivation of a panel of machine learning classification …
target pharmacology alerts. The derivation of a panel of machine learning classification …
Ensemble of structure and ligand-based classification models for hERG liability profiling
S Vittorio, F Lunghini, A Pedretti, G Vistoli… - Frontiers in …, 2023 - frontiersin.org
Drug-induced cardiotoxicity represents one of the most critical safety concerns in the early
stages of drug development. The blockade of the human ether-à-go-go-related potassium …
stages of drug development. The blockade of the human ether-à-go-go-related potassium …
STOPLIGHT: A Hit Scoring Calculator
We introduce STOPLIGHT, a web portal to assist medicinal chemists in prioritizing hits from
screening campaigns and the selection of compounds for optimization. STOPLIGHT …
screening campaigns and the selection of compounds for optimization. STOPLIGHT …
MolPredictX: A Pioneer Mobile App Version for Online Biological Activity Predictions by Machine Learning Models
MT Scotti, EF Albuquerque, CG da Silva Junior… - … : Methods and Protocols, 2024 - Springer
MolPredictX is a free-access web tool in which it is possible to analyze the prediction of
biological activity of chemical molecules. MolPredictX has been available online to the …
biological activity of chemical molecules. MolPredictX has been available online to the …
[HTML][HTML] In silico off-target profiling for enhanced drug safety assessment
J Liu, Y Gui, J Rao, J Sun, G Wang, Q Ren, N Qu… - … Pharmaceutica Sinica B, 2024 - Elsevier
Ensuring drug safety in the early stages of drug development is crucial to avoid costly
failures in subsequent phases. However, the economic burden associated with detecting …
failures in subsequent phases. However, the economic burden associated with detecting …