Application of Computational Biology and Artificial Intelligence Technologies in Cancer Precision Drug Discovery.

Publication date: Aug 30, 2019

Artificial intelligence (AI) proves to have enormous potential in many areas of healthcare including research and chemical discoveries. Using large amounts of aggregated data, the AI can discover and learn further transforming these data into “usable” knowledge. Being well aware of this, the world’s leading pharmaceutical companies have already begun to use artificial intelligence to improve their research regarding new drugs. The goal is to exploit modern computational biology and machine learning systems to predict the molecular behaviour and the likelihood of getting a useful drug, thus saving time and money on unnecessary tests. Clinical studies, electronic medical records, high-resolution medical images, and genomic profiles can be used as resources to aid drug development. Pharmaceutical and medical researchers have extensive data sets that can be analyzed by strong AI systems. This review focused on how computational biology and artificial intelligence technologies can be implemented by integrating the knowledge of cancer drugs, drug resistance, next-generation sequencing, genetic variants, and structural biology in the cancer precision drug discovery.

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Nagarajan, N., Yapp, E.K.Y., Le, N.Q.K., Kamaraj, B., Al-Subaie, A.M., and Yeh, H.Y. Application of Computational Biology and Artificial Intelligence Technologies in Cancer Precision Drug Discovery. 06554. 2019 Biomed Res Int (2019):

Concepts Keywords
AI Drug development
Artificial Intelligence Drug Discovery
Computational Learning Clinical trial
Drug Development Computational neuroscience
Drug Discovery Cybernetics
Drug Resistance Artificial intelligence
Genetic Emerging technologies
Healthcare Pharmaceutical industry
Pharmaceutical Companies Academic disciplines
Sequencing Drug development
Drug discovery
Computational learning systems
Artificial intelligence


Type Source Name
disease MESH Cancer
disease MESH development
disease MESH noma
disease MESH malignant melanoma
disease MESH renal
drug DRUGBANK Amino acids
drug DRUGBANK Spinosad
drug DRUGBANK Coenzyme M
disease MESH cholera
drug DRUGBANK Gold
drug DRUGBANK Acetylsalicylic acid
drug DRUGBANK Trimebutine
disease MESH noncommunicable diseases
disease MESH death
disease MESH infection
disease MESH lifestyles
disease MESH lung cancer
disease MESH colorectal cancers
drug DRUGBANK Pentaerythritol tetranitrate
drug DRUGBANK Olaparib
disease MESH metastases
disease MESH hepatocellular carcinoma
pathway KEGG Hepatocellular carcinoma
disease MESH hematologic malignancies
drug DRUGBANK Glycine
pathway KEGG Metabolic pathways
disease MESH genetic diseases
disease MESH undiagnosed diseases
drug DRUGBANK Saquinavir
drug DRUGBANK Trestolone
disease MESH diagnosis
disease MESH neurodegenerative disorders
drug DRUGBANK Dimercaprol
drug DRUGBANK Methionine
drug DRUGBANK L-Tyrosine
drug DRUGBANK Trihexyphenidyl
drug DRUGBANK Huperzine B
drug DRUGBANK Icodextrin
drug DRUGBANK Nalidixic acid
drug DRUGBANK Profenamine
pathway KEGG Apoptosis
disease MESH Rare disease
disease MESH malaria
pathway KEGG Malaria
drug DRUGBANK Crizotinib
drug DRUGBANK Ethanol
drug DRUGBANK (S)-Des-Me-Ampa
disease MESH breast cancer
pathway KEGG Breast cancer
drug DRUGBANK 3-phenylpropionic acid
drug DRUGBANK Amber
drug DRUGBANK Albendazole


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