Track topics on Twitter Track topics that are important to you
Visualization of activity data in chemical space is common in drug discovery. Navigating the space in a systematic manner is not trivial, given its size and huge coverage. To this end, methods for data visualization have been developed charting biological activity into chemical space. Herein, we review the progress in different visualization approaches to explore the chemical space aiming at reaching insightful structure-activity relationships (SARs) in the chemical space. We discuss recent methods including consensus diversity plots, ChemMaps, and constellation plots. Several of the methods we review can be extended to analyze other properties of interest in medicinal chemistry, such as structure-toxicity relationships, and can be adapted to postprocess results of virtual screening (VS) of large compound libraries.
This article was published in the following journal.
Name: Drug discovery today
Peripersonal space can be considered as the interface between the body and the environment, where objects can be reached and which may serve as a reference for the central nervous system with regard t...
The synthesis of nucleobases in natural environments, especially in interstellar molecular clouds, is the focus of a long-standing debate regarding prebiotic chemical evolution. Here we report the sim...
We report quantum chemical calculations using multireference perturbation theory (MRPT) with the density matrix renormalization group (DMRG) plus photothermal deflection spectroscopy measurements to i...
This study focused on the development of infants' sensorimotor knowledge about the layout of their bodies. Little is known about the development of the body as a reaching space, despite the importance...
The brain constructs a functional representation of the space around the body, the so called peripersonal space (PPS), which is a sensorimotor interface used to ensure suitable motor acts. However, th...
To evaluate the feasibility of providing daytime bright light in the ICU in a pilot randomized controlled trial.
Bright light therapy has been used to safely and effectively treat conditions such as Seasonal Affective Disorder and to regularize sleep in patients with circadian rhythm disorder. Based ...
Carotid ultrasound can reveal the intima-media complex thickness(IMT), that has been reported to be a marker of atherosclerosis as well as a risk of cardiovascular events, and to be attenu...
Title of study: Comparison of the Effectiveness of Povidone-Iodine alone to Povidone-Iodine--Tetracycline Combination for Chemical Pleurodesis in Malignant Pleural Effusion. Researc...
This study aims to investigate the effects of a single session of bright light treatment (BLT) on emotional information processing in healthy volunteers. We hypothesised that BLT can acute...
A phylum of the most familiar marine invertebrates. Its class Stelleroidea contains two subclasses, the Asteroidea (the STARFISH or sea stars) and the Ophiuroidea (the brittle stars, also called basket stars and serpent stars). There are 1500 described species of STARFISH found throughout the world. The second class, Echinoidea, contains about 950 species of SEA URCHINS, heart urchins, and sand dollars. A third class, Holothuroidea, comprises about 900 echinoderms known as SEA CUCUMBERS. Echinoderms are used extensively in biological research. (From Barnes, Invertebrate Zoology, 5th ed, pp773-826)
Aggregates of matter in outer space, such as stars, planets, comets, etc. and the properties and processes they undergo.
Chemical and physical transformation of the biogenic elements from their nucleosynthesis in stars to their incorporation and subsequent modification in planetary bodies and terrestrial biochemistry. It includes the mechanism of incorporation of biogenic elements into complex molecules and molecular systems, leading up to the origin of life.
Methods of contraception in which physical, chemical, or biological means are used to prevent the SPERM from reaching the fertilizable OVUM.
Relatively bright light, or the dazzling sensation of relatively bright light, which produces unpleasantness or discomfort, or which interferes with optimal VISION, OCULAR. (Cline et al., Dictionary of Visual Science, 4th ed)
Clinical Approvals Clinical Trials Drug Approvals Drug Delivery Drug Discovery Generics Drugs Prescription Drugs In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by which drugs are dis...
Biological therapy involves the use of living organisms, substances derived from living organisms, or laboratory-produced versions of such substances to treat disease. Some biological therapies for cancer use vaccines or bacteria to stimulate the body&rs...