Journal of chemical information and modeling
Sep 3, 2019
Drug repositioning, or the identification of new indications for approved therapeutic drugs, has gained substantial traction with both academics and pharmaceutical companies because it reduces the cost and duration of the drug development pipeline an...
We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo small-molecule design. GENTRL optimizes synthetic feasibility, novelty, and biological activity. We used GENTRL to discover potent inhibitors...
The cellular and synaptic architecture of the rodent hippocampus has been described in thousands of peer-reviewed publications. However, no human- or machine-readable public catalog of synaptic electrophysiology data exists for this or any other neur...
The effect of body condition score (BCS) on reproductive outcomes is complex, dynamic and non-linear with interaction and confounding. The flexibility inherent in machine learning algorithms makes them attractive for analysing complex data. This stud...
Metabolic status of dairy cows in early lactation can be evaluated using the concentrations of plasma β-hydroxybutyrate (BHB), free fatty acids (FFA), glucose, insulin, and insulin-like growth factor 1 (IGF-1). These plasma metabolites and metabolic ...
Microinjection into single cells in brain tissue is a powerful technique to study and manipulate neural stem cells. However, such microinjection requires expertise and is a low-throughput process. We developed the "Autoinjector", a robot that utilize...
Optical projection tomography (OPT) is a 3D mesoscopic imaging modality that can utilize absorption or fluorescence contrast. 3D images can be rapidly reconstructed from tomographic data sets sampled with sufficient numbers of projection angles using...
Posture detection targeted towards providing assessments for the monitoring of health and welfare of pigs has been of great interest to researchers from different disciplines. Existing studies applying machine vision techniques are mostly based on me...
We implemented Machine Learning (ML) techniques to advance the study of sperm whale (Physeter macrocephalus) bioacoustics. This entailed employing Convolutional Neural Networks (CNNs) to construct an echolocation click detector designed to classify s...
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