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[HTML][HTML] Comprehensive survey of recent drug discovery using deep learning
Drug discovery based on artificial intelligence has been in the spotlight recently as it
significantly reduces the time and cost required for develo** novel drugs. With the …
significantly reduces the time and cost required for develo** novel drugs. With the …
Cheminformatics in natural product‐based drug discovery
This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …
methods in natural product‐based drug discovery. Following an overview of data resources …
IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants
Compilation, curation, digitization, and exploration of the phytochemical space of Indian
medicinal plants can expedite ongoing efforts toward natural product and traditional …
medicinal plants can expedite ongoing efforts toward natural product and traditional …
Phytotoxic fungal secondary metabolites as herbicides
A Bendejacq‐Seychelles… - Pest Management …, 2024 - Wiley Online Library
Among the alternatives to synthetic plant protection products, biocontrol appears as a
promising method. This review reports on the diversity of fungal secondary metabolites …
promising method. This review reports on the diversity of fungal secondary metabolites …
Predicting the reproductive toxicity of chemicals using ensemble learning methods and molecular fingerprints
Reproductive toxicity endpoints are a significant safety concern in the assessment of the
adverse effects of chemicals in drug discovery. Computational models that can accurately …
adverse effects of chemicals in drug discovery. Computational models that can accurately …
Analysis of a large food chemical database: chemical space, diversity, and complexity
JJ Naveja, MP Rico-Hidalgo… - …, 2018 - pmc.ncbi.nlm.nih.gov
Background: Food chemicals are a cornerstone in the food industry. However, its chemical
diversity has been explored on a limited basis, for instance, previous analysis of food-related …
diversity has been explored on a limited basis, for instance, previous analysis of food-related …
Erinacine A and related cyathane diterpenoids: Molecular diversity and mechanisms underlying their neuroprotection and anticancer activities
C Bailly, JM Gao - Pharmacological Research, 2020 - Elsevier
The presence of a fused 5/6/7 tricyclic core characterizes the group of cyathane diterpene
natural products, that include more than 170 compounds, isolated from fungi such as …
natural products, that include more than 170 compounds, isolated from fungi such as …
Platform for unified molecular analysis: PUMA
M Gonzalez-Medina… - Journal of chemical …, 2017 - ACS Publications
We introduce a free platform for chemoinformatic-based diversity analysis and visualization
of chemical space of user supplied data sets. Platform for Unified Molecular Analysis …
of chemical space of user supplied data sets. Platform for Unified Molecular Analysis …
Discovery of anticancer agents of diverse natural origin
LN Aldrich, JE Burdette… - Journal of natural …, 2022 - ACS Publications
Research progress from mainly over the last five years is described for a multidisciplinary
collaborative program project directed toward the discovery of potential anticancer agents …
collaborative program project directed toward the discovery of potential anticancer agents …
Verticillins: fungal epipolythiodioxopiperazine alkaloids with chemotherapeutic potential
Covering: 1970 through June of 2023 Verticillins are epipolythiodioxopiperazine (ETP)
alkaloids, many of which possess potent, nanomolar-level cytotoxicity against a variety of …
alkaloids, many of which possess potent, nanomolar-level cytotoxicity against a variety of …