US FDA approved drugs from 2015–June 2020: a perspective
In the present work, we report compilation and analysis of 245 drugs, including small and
macromolecules approved by the US FDA from 2015 until June 2020. Nearly 29% of the …
macromolecules approved by the US FDA from 2015 until June 2020. Nearly 29% of the …
Put a ring on it: application of small aliphatic rings in medicinal chemistry
MR Bauer, P Di Fruscia, SCC Lucas… - RSC Medicinal …, 2021 - pubs.rsc.org
Aliphatic three-and four-membered rings including cyclopropanes, cyclobutanes, oxetanes,
azetidines and bicyclo [1.1. 1] pentanes have been increasingly exploited in medicinal …
azetidines and bicyclo [1.1. 1] pentanes have been increasingly exploited in medicinal …
[HTML][HTML] Teixobactin kills bacteria by a two-pronged attack on the cell envelope
Antibiotics that use novel mechanisms are needed to combat antimicrobial resistance,–.
Teixobactin represents a new class of antibiotics with a unique chemical scaffold and lack of …
Teixobactin represents a new class of antibiotics with a unique chemical scaffold and lack of …
[HTML][HTML] Ranking environmental degradation trends of plastic marine debris based on physical properties and molecular structure
K Min, JD Cuiffi, RT Mathers - Nature communications, 2020 - nature.com
As plastic marine debris continues to accumulate in the oceans, many important questions
surround this global dilemma. In particular, how many descriptors would be necessary to …
surround this global dilemma. In particular, how many descriptors would be necessary to …
A boiled‐egg to predict gastrointestinal absorption and brain penetration of small molecules
A Daina, V Zoete - ChemMedChem, 2016 - Wiley Online Library
Apart from efficacy and toxicity, many drug development failures are imputable to poor
pharmacokinetics and bioavailability. Gastrointestinal absorption and brain access are two …
pharmacokinetics and bioavailability. Gastrointestinal absorption and brain access are two …
Bioactive synthetic polymers
Synthetic polymers are omnipresent in society as textiles and packaging materials, in
construction and medicine, among many other important applications. Alternatively, natural …
construction and medicine, among many other important applications. Alternatively, natural …
[HTML][HTML] OPERA models for predicting physicochemical properties and environmental fate endpoints
The collection of chemical structure information and associated experimental data for
quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by …
quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by …
Development and application of liquid chromatographic retention time indices in HRMS-based suspect and nontarget screening
There is an increasing need for comparable and harmonized retention times (t R) in liquid
chromatography (LC) among different laboratories, to provide supplementary evidence for …
chromatography (LC) among different laboratories, to provide supplementary evidence for …
iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach
A Daina, O Michielin, V Zoete - Journal of chemical information …, 2014 - ACS Publications
The n-octanol/water partition coefficient (log P o/w) is a key physicochemical parameter for
drug discovery, design, and development. Here, we present a physics-based approach that …
drug discovery, design, and development. Here, we present a physics-based approach that …
[HTML][HTML] Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
EB Lenselink, N Ten Dijke, B Bongers… - Journal of …, 2017 - Springer
The increase of publicly available bioactivity data in recent years has fueled and catalyzed
research in chemogenomics, data mining, and modeling approaches. As a direct result, over …
research in chemogenomics, data mining, and modeling approaches. As a direct result, over …