Literature DB >> 33151290

PubChem in 2021: new data content and improved web interfaces.

Sunghwan Kim1, Jie Chen1, Tiejun Cheng1, Asta Gindulyte1, Jia He1, Siqian He1, Qingliang Li1, Benjamin A Shoemaker1, Paul A Thiessen1, Bo Yu1, Leonid Zaslavsky1, Jian Zhang1, Evan E Bolton1.   

Abstract

PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well as the general public, with millions of unique users per month. In the past two years, PubChem made substantial improvements. Data from more than 100 new data sources were added to PubChem, including chemical-literature links from Thieme Chemistry, chemical and physical property links from SpringerMaterials, and patent links from the World Intellectual Properties Organization (WIPO). PubChem's homepage and individual record pages were updated to help users find desired information faster. This update involved a data model change for the data objects used by these pages as well as by programmatic users. Several new services were introduced, including the PubChem Periodic Table and Element pages, Pathway pages, and Knowledge panels. Additionally, in response to the coronavirus disease 2019 (COVID-19) outbreak, PubChem created a special data collection that contains PubChem data related to COVID-19 and the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Published by Oxford University Press on behalf of Nucleic Acids Research 2020.

Entities:  

Year:  2021        PMID: 33151290     DOI: 10.1093/nar/gkaa971

Source DB:  PubMed          Journal:  Nucleic Acids Res        ISSN: 0305-1048            Impact factor:   16.971


  382 in total

1.  Accurate acid dissociation constant (pKa) calculation for the sulfachloropyridazine and similar molecules.

Authors:  Fernando Marques Carvalho; Yuri Alves de Oliveira Só; Alessandra Sofia Kiametis Wernik; Mônica de Abreu Silva; Ricardo Gargano
Journal:  J Mol Model       Date:  2021-07-29       Impact factor: 1.810

2.  Green Synthesis of Selenium Nanoparticles Mediated by Nilgirianthus ciliates Leaf Extracts for Antimicrobial Activity on Foodborne Pathogenic Microbes and Pesticidal Activity Against Aedes aegypti with Molecular Docking.

Authors:  Krishnan Meenambigai; Ranganathan Kokila; Kandasamy Chandhirasekar; Ayyavu Thendralmanikandan; Durairaj Kaliannan; Kalibulla Syed Ibrahim; Shobana Kumar; Wenchao Liu; Balamuralikrishnan Balasubramanian; Arjunan Nareshkumar
Journal:  Biol Trace Elem Res       Date:  2021-08-24       Impact factor: 3.738

3.  Discovery of potential mTOR inhibitors from Cichorium intybus to find new candidate drugs targeting the pathological protein related to the breast cancer: an integrated computational approach.

Authors:  Hezha O Rasul; Bakhtyar K Aziz; Dlzar D Ghafour; Arif Kivrak
Journal:  Mol Divers       Date:  2022-06-23       Impact factor: 2.943

4.  NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism.

Authors:  Anush Chiappino-Pepe; Kiandokht Haddadi; Homa MohammadiPeyhani; Jasmin Hafner; Noushin Hadadi; Vassily Hatzimanikatis
Journal:  Elife       Date:  2021-08-03       Impact factor: 8.140

5.  Utilizing graph machine learning within drug discovery and development.

Authors:  Thomas Gaudelet; Ben Day; Arian R Jamasb; Jyothish Soman; Cristian Regep; Gertrude Liu; Jeremy B R Hayter; Richard Vickers; Charles Roberts; Jian Tang; David Roblin; Tom L Blundell; Michael M Bronstein; Jake P Taylor-King
Journal:  Brief Bioinform       Date:  2021-11-05       Impact factor: 11.622

6.  Therapeutic Effects of Naringin in Rheumatoid Arthritis: Network Pharmacology and Experimental Validation.

Authors:  Yirixiati Aihaiti; Yong Song Cai; Xiadiye Tuerhong; Yan Ni Yang; Yao Ma; Hai Shi Zheng; Ke Xu; Peng Xu
Journal:  Front Pharmacol       Date:  2021-05-14       Impact factor: 5.810

7.  Effects of Magnesium, Calcium, and Aluminum Chelation on Fluoroquinolone Absorption Rate and Bioavailability: A Computational Study.

Authors:  Daniel M Walden; Maksim Khotimchenko; Hypatia Hou; Kaushik Chakravarty; Jyotika Varshney
Journal:  Pharmaceutics       Date:  2021-04-21       Impact factor: 6.321

8.  Application of Supervised SOM Algorithms in Predicting the Hepatotoxic Potential of Drugs.

Authors:  Viktor Drgan; Benjamin Bajželj
Journal:  Int J Mol Sci       Date:  2021-04-24       Impact factor: 5.923

Review 9.  Prediction of antischistosomal small molecules using machine learning in the era of big data.

Authors:  Samuel K Kwofie; Kwasi Agyenkwa-Mawuli; Emmanuel Broni; Whelton A Miller Iii; Michael D Wilson
Journal:  Mol Divers       Date:  2021-08-05       Impact factor: 2.943

10.  Multiple G-quadruplex binding ligand induced transcriptomic map of cancer cell lines.

Authors:  Amjesh Revikumar; Vivek Kashyap; Akhina Palollathil; Anjana Aravind; Rajeswari Raguraman; Kenkere Mallikarjunaiah Kiran Kumar; Manavalan Vijayakumar; Thottethodi Subrahmanya Keshava Prasad; Rajesh Raju
Journal:  J Cell Commun Signal       Date:  2021-07-26       Impact factor: 5.782

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