• Publications
  • Influence
Use of machine learning approaches for novel drug discovery
TLDR
This article presents an overview on some applications of machine learning (ML) techniques in drug design. Expand
  • 100
  • 2
Machine learning techniques and drug design.
TLDR
A brief review of some MLT such as self-organizing maps, multilayer perceptron, bayesian neural networks, counter-propagation neural network and support vector machines is described in this paper and shows their potential ability as a valuable tool in drug design. Expand
  • 78
  • 2
Applying machine learning techniques for ADME-Tox prediction: a review
TLDR
Introduction: Pharmacokinetics involves the study of absorption, distribution, metabolism, excretion and toxicity of xenobiotics (ADME-Tox). Expand
  • 52
  • 1
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
  • 14
  • 1
  • PDF
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
  • 8
  • 1
  • PDF
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
  • 6
  • 1
  • PDF
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
  • 12
  • 1
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
  • 28
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
  • 7
Computational studies of TGF-βRI (ALK-5) inhibitors: analysis of the binding interactions between ligand-receptor using 2D and 3D techniques.
ALK-5 (Activin-Like Kinase 5) is a biological receptor involved in a variety of pathological processes such as cancer and fibrosis. ALK-5 receptor propagates an intracellular signaling that forms aExpand
  • 14