AIMC Topic: Drug Evaluation, Preclinical
Clear Filters Showing 181 to 190 of 197 articles
Deep learning takes on tumours.
Nature
Apr 1, 2020
Current Advances and Limitations of Deep Learning in Anticancer Drug Sensitivity Prediction.
Current topics in medicinal chemistry
Jan 1, 2020
Anticancer drug screening can accelerate drug discovery to save the lives of cancer patients, but cancer heterogeneity makes this screening challenging. The prediction of anticancer drug sensitivity is useful for anticancer drug development and the i...
Strategies for Design of Molecular Structures with a Desired Pharmacophore Using Deep Reinforcement Learning.
Chemical & pharmaceutical bulletin
Jan 1, 2020
The goal of drug design is to discover molecular structures that have suitable pharmacological properties in vast chemical space. In recent years, the use of deep generative models (DGMs) is getting a lot of attention as an effective method of genera...
Identification of Key Features of CNS Drugs Based on SVM and Greedy Algorithm.
Current computer-aided drug design
Jan 1, 2020
INTRODUCTION: The research and development of drugs, related to the central nervous system (CNS) diseases is a long and arduous process with high cost, long cycle and low success rate. Identification of key features based on available CNS drugs is of...
Studies for Bacterystic Evaluation against of 2-Naphthoic Acid Analogues.
Current topics in medicinal chemistry
Jan 1, 2020
BACKGROUND: Staphylococcus aureus is a gram-positive spherical bacterium commonly present in nasal fossae and in the skin of healthy people; however, in high quantities, it can lead to complications that compromise health. The pathologies involved in...
DeepScreening: a deep learning-based screening web server for accelerating drug discovery.
Database : the journal of biological databases and curation
Jan 1, 2019
Deep learning contributes significantly to researches in biological sciences and drug discovery. Previous studies suggested that deep learning techniques have shown superior performance to other machine learning algorithms in virtual screening, which...
Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique.
Anti-cancer agents in medicinal chemistry
Jan 1, 2019
Possibility and necessity of standardization of predictive models for anti-cancer activity are discussed. The hypothesis about rationality of common quantitative analysis of anti-cancer activity and carcinogenicity is developed. Potential of optimal ...
Virtual Screening Meets Deep Learning.
Current computer-aided drug design
Jan 1, 2019
BACKGROUND: Automated compound testing is currently the de facto standard method for drug screening, but it has not brought the great increase in the number of new drugs that was expected. Computer- aided compounds search, known as Virtual Screening,...
Evaluation of the potential nephrotoxicity and mechanism in rats after long-term exposure to the traditional Tibetan medicine tsothel.
Pharmaceutical biology
Dec 1, 2018
CONTEXT: Tsothel, a traditional Tibetan medicine, is regarded as 'the king of essences'. Nevertheless, tsothel has aroused serious concern regarding its biosafety because its main component is HgS. Unfortunately, toxicological studies on tsothel are ...
Smart Data Analytics approach to model Complex Biochemical Oscillations in Hippocampal Neurons.
Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Jul 1, 2018
Calcium spiking can be used for drug screening studies in pharmaceutical industries. However, performing experiments for multiple drugs and doses are highly expensive. The oscillatory behavior of calcium spiking data demonstrates extreme nonlinearity...
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