AIMC Topic: Databases, Pharmaceutical

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Classification and Design of HIV-1 Integrase Inhibitors Based on Machine Learning.

Computational and mathematical methods in medicine
A key enzyme in human immunodeficiency virus type 1 (HIV-1) life cycle, integrase (IN) aids the integration of viral DNA into the host DNA, which has become an ideal target for the development of anti-HIV drugs. A total of 1785 potential HIV-1 IN inh...

Predicting postoperative opioid use with machine learning and insurance claims in opioid-naïve patients.

American journal of surgery
BACKGROUND: The clinical impact of postoperative opioid use requires accurate prediction strategies to identify at-risk patients. We utilize preoperative claims data to predict postoperative opioid refill and new persistent use in opioid-naïve patien...

[G5 can't do without 5G].

Nederlands tijdschrift voor geneeskunde
In the Netherlands, 5 web-based systems co-exist in the public domain to provide relevant pharmacotherapeutic information for physicians, pharmacists and patients. Although these systems provide significant support to prescribers, still much can be i...

Predicting Potential SARS-COV-2 Drugs-In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking.

International journal of molecular sciences
Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A concerted effort from research labs around the world resulted in the identification of potential pharmaceutical treatments for CoVID-19 using existing drugs, as we...

Prediction of adverse drug reactions using drug convolutional neural networks.

Journal of bioinformatics and computational biology
Prediction of Adverse Drug Reactions (ADRs) has been an important aspect of Pharmacovigilance because of its impact in the pharma industry. The standard process of introduction of a new drug into a market involves a lot of clinical trials and tests. ...

Improved Deep Learning Based Method for Molecular Similarity Searching Using Stack of Deep Belief Networks.

Molecules (Basel, Switzerland)
Virtual screening (VS) is a computational practice applied in drug discovery research. VS is popularly applied in a computer-based search for new lead molecules based on molecular similarity searching. In chemical databases similarity searching is us...

H-RACS: a handy tool to rank anti-cancer synergistic drugs.

Aging
Though promising, identifying synergistic combinations from a large pool of candidate drugs remains challenging for cancer treatment. Due to unclear mechanism and limited confirmed cases, only a few computational algorithms are able to predict drug s...

Predicting the frequencies of drug side effects.

Nature communications
A central issue in drug risk-benefit assessment is identifying frequencies of side effects in humans. Currently, frequencies are experimentally determined in randomised controlled clinical trials. We present a machine learning framework for computati...

BIOINTMED: integrated biomedical knowledge base with ontologies and clinical trials.

Medical & biological engineering & computing
Biomedical data are complex and heterogeneous. An ample reliable quantity of data is important for understanding and exploring the domain. The work aims to integrate biomedical data from various heterogeneous sources like dictionaries or corpus and a...

Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI).

Molecular pharmaceutics
Drug-induced liver injury (DILI) is one the most unpredictable adverse reactions to xenobiotics in humans and the leading cause of postmarketing withdrawals of approved drugs. To date, these drugs have been collated by the FDA to form the DILIRank da...