AIMC Topic: Antineoplastic Agents

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TumFlow: An AI Model for Predicting New Anticancer Molecules.

International journal of molecular sciences
Melanoma is the fifth most common cancer in the United States. Conventional drug discovery methods are inherently time-consuming and costly, which imposes significant limitations. However, the advent of Artificial Intelligence (AI) has opened up new ...

Reliable anti-cancer drug sensitivity prediction and prioritization.

Scientific reports
The application of machine learning (ML) to solve real-world problems does not only bear great potential but also high risk. One fundamental challenge in risk mitigation is to ensure the reliability of the ML predictions, i.e., the model error should...

OrganoIDNet: a deep learning tool for identification of therapeutic effects in PDAC organoid-PBMC co-cultures from time-resolved imaging data.

Cellular oncology (Dordrecht, Netherlands)
PURPOSE: Pancreatic Ductal Adenocarcinoma (PDAC) remains a challenging disease due to its complex biology and aggressive behavior with an urgent need for efficient therapeutic strategies. To assess therapy response, pre-clinical PDAC organoid-based m...

A large-scale machine learning analysis of inorganic nanoparticles in preclinical cancer research.

Nature nanotechnology
Owing to their distinct physical and chemical properties, inorganic nanoparticles (NPs) have shown promising results in preclinical cancer therapy, but designing and engineering them for effective therapeutic purposes remains a challenge. Although a ...

Improving Anticancer Drug Selection and Prioritization via Neural Learning to Rank.

Journal of chemical information and modeling
Personalized cancer treatment requires a thorough understanding of complex interactions between drugs and cancer cell lines in varying genetic and molecular contexts. To address this, high-throughput screening has been used to generate large-scale dr...

Prediction of anticancer drug sensitivity using an interpretable model guided by deep learning.

BMC bioinformatics
BACKGROUND: The prediction of drug sensitivity plays a crucial role in improving the therapeutic effect of drugs. However, testing the effectiveness of drugs is challenging due to the complex mechanism of drug reactions and the lack of interpretabili...

An extensive review on lung cancer therapeutics using machine learning techniques: state-of-the-art and perspectives.

Journal of drug targeting
There are over 100 types of human cancer, accounting for millions of deaths every year. Lung cancer alone claims over 1.8 million lives per year and is expected to surpass 3.2 million by 2050, which underscores the urgent need for rapid drug developm...

Machine-learning and mechanistic modeling of metastatic breast cancer after neoadjuvant treatment.

PLoS computational biology
Clinical trials involving systemic neoadjuvant treatments in breast cancer aim to shrink tumors before surgery while simultaneously allowing for controlled evaluation of biomarkers, toxicity, and suppression of distant (occult) metastatic disease. Ye...

ACP-ESM2: The prediction of anticancer peptides based on pre-trained classifier.

Computational biology and chemistry
Anticancer peptides (ACPs) are a type of protein molecule that has anti-cancer activity and can inhibit cancer cell growth and survival. Traditional classification approaches for ACPs are expensive and time-consuming. This paper proposes a pre-traine...