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Use of machine learning approaches for novel drug discovery
abstract Introduction: The use of computational tools in the early stages of drug development has increased in recent decades. Machine learning (ML) approaches have been of special interest, sinceExpand
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Machine learning techniques and drug design.
The interest in the application of machine learning techniques (MLT) as drug design tools is growing in the last decades. The reason for this is related to the fact that the drug design is veryExpand
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Applying machine learning techniques for ADME-Tox prediction: a review
Introduction: Pharmacokinetics involves the study of absorption, distribution, metabolism, excretion and toxicity of xenobiotics (ADME-Tox). In this sense, the ADME-Tox profile of a bioactiveExpand
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Isolation and Biochemical Characterization of a New Thrombin-Like Serine Protease from Bothrops pirajai Snake Venom
This paper presents a novel serine protease (SP) isolated from Bothrops pirajai, a venomous snake found solely in Brazil that belongs to the Viperidae family. The identified SP, named BpirSP-39, wasExpand
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BbMP-1, a new metalloproteinase isolated from Bothrops brazili snake venom with in vitro antiplasmodial properties.
This study describes the biochemical and functional characterization of a new metalloproteinase named BbMP-1, isolated from Bothrops brazili venom. BbMP-1 was homogeneous on SDS-PAGE, presentedExpand
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A Novel Phospholipase A2 (D49) from the Venom of the Crotalus oreganus abyssus (North American Grand Canyon Rattlesnake)
Currently, Crotalus viridis was divided into two species: Crotalus viridis and Crotalus oreganus. The current classification divides “the old” Crotalus viridis into two new and independent species:Expand
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Theoretical study on the molecular and electronic properties of some substances used for diabetes mellitus treatment
Diabetes mellitus (DM) is a disease that affects a large number of people, and the number of problems associated with the disease has been increasing in the past few decades. These problems includeExpand
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Synthesis, molecular modeling studies and evaluation of antifungal activity of a novel series of thiazole derivatives.
In the search for new antifungal agents, a novel series of fifteen hydrazine-thiazole derivatives was synthesized and assayed in vitro against six clinically important Candida and CryptococcusExpand
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Convergent QSAR studies on a series of NK3 receptor antagonists for schizophrenia treatment
Abstract The dopamine hypothesis states that decreased dopaminergic neurotransmission reduces schizophrenia symptoms. Neurokinin-3 receptor (NK3) antagonists reduce dopamine release and have shownExpand
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Advanced QSAR studies on PPARδ ligands related to metabolic diseases
PPARd e um receptor nuclear que, quando ativado, regula o metabolismo de carboidratos e lipidios, e esta relacionado com diversas enfermidades, tais como sindrome metabolica e diabetes tipo 2. ParaExpand
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