Abstract:Identifying the interaction targets of bioactive compounds is a foundational element for deciphering their pharmacological effects. Target prediction algorithms equip researchers with an effective tool to rapidly scope and explore potential targets. Here, we introduce the COMET, a multi-technological modular target prediction tool that provides comprehensive predictive insights, including similar active compounds, three-dimensional predicted binding modes, and probability scores, all within an average processing time of less than 10 minutes per task. With meticulously curated data, the COMET database encompasses 990,944 drug-target interaction pairs and 45,035 binding pockets, enabling predictions for 2,685 targets, which span confirmed and exploratory therapeutic targets for human diseases. In comparative testing using datasets from ChEMBL and BindingDB, COMET outperformed five other well-known algorithms, offering nearly an 80% probability of accurately identifying at least one true target within the top 15 predictions for a given compound. COMET also features a user-friendly web server, accessible freely at https://www.pdbbind-plus.org.cn/comet.
Abstract:Existing 2D human pose estimation research predominantly concentrates on well-lit scenarios, with limited exploration of poor lighting conditions, which are a prevalent aspect of daily life. Recent studies on low-light pose estimation require the use of paired well-lit and low-light images with ground truths for training, which are impractical due to the inherent challenges associated with annotation on low-light images. To this end, we introduce a novel approach that eliminates the need for low-light ground truths. Our primary novelty lies in leveraging two complementary-teacher networks to generate more reliable pseudo labels, enabling our model achieves competitive performance on extremely low-light images without the need for training with low-light ground truths. Our framework consists of two stages. In the first stage, our model is trained on well-lit data with low-light augmentations. In the second stage, we propose a dual-teacher framework to utilize the unlabeled low-light data, where a center-based main teacher produces the pseudo labels for relatively visible cases, while a keypoints-based complementary teacher focuses on producing the pseudo labels for the missed persons of the main teacher. With the pseudo labels from both teachers, we propose a person-specific low-light augmentation to challenge a student model in training to outperform the teachers. Experimental results on real low-light dataset (ExLPose-OCN) show, our method achieves 6.8% (2.4 AP) improvement over the state-of-the-art (SOTA) method, despite no low-light ground-truth data is used in our approach, in contrast to the SOTA method. Our code will be available at:https://github.com/ayh015-dev/DA-LLPose.