Combinatorial chemistry is an advance of this decade that makes it possible to synthesize over a million compounds in a day. These compounds can then be tested for biological activities of various kinds via high-throughput screening, in the search for new drug leads. Unfortunately, the active compounds may have undesirable properties such as metabolic instability or toxicity. Nevertheless, mach...

Computational prediction of compound-protein interactions (CPIs) is of great importance for drug design as the first step in in-silico screening. We previously proposed chemical genomics-based virtual screening (CGBVS), which predicts CPIs by using a support vector machine (SVM). However, the CGBVS has problems when training using more than a million datasets of CPIs since SVMs require an expon...

Monitoring exhaled breath is a very attractive, noninvasive screening technique for early diagnosis of diseases, especially lung cancer. However, the technique provides insufficient accuracy because the exhaled air has many crucial volatile organic compounds (VOCs) at very low concentrations (ppb level). We analyzed the breath exhaled by lung cancer patients and healthy subjects (controls) usin...

Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict binding affinities and poses. The ever-expanding amount of protein-ligand binding and structural data enables the use of deep machine learning techniques for pro...

During the past decade, virtual screening (VS) has evolved from traditional similarity searching, which utilizes single reference compounds, into an advanced application domain for data mining and machine-learning approaches, which require large and representative training-set compounds to learn robust decision rules. The explosive growth in the amount of public domain-available chemical and bi...

background: computerized preventive screening software is a cost effective intervention tool to address non-communicable chronic diseases. shiraz smart screening software (ssss) was developed as an innovative tool for qualified screening. it allows simultaneous smart screening of several high-burden chronic diseases and supports reminder notification functionality. the extent in which ssss affe...

With progress in mineral processing technologies, particle size classification equipment has also been changed to satisfy the needs of modern plants. Accordingly, design, manufacturing and utilizing of banana screens in mineral processing plants have led to increased screening efficiency at industrial scale. Banana screen is an important invention occurred in past decade which increases screeni...

This paper proposes a novel axial flux switching permanent magnet generator for small wind turbine applications. Surface mounted axial flux switching permanent magnet (SMAFSPM) machine is a new type of these machines that is introduced in this paper. One of the most important challenges in optimal designing of this kind of machines, is ease of construction and maintenance. One of the main featu...