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Drug databases and their contributions to drug repurposing

Genomics (San Diego, Calif.), 2020-03, Vol.112 (2), p.1087-1095

2020

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A similarity-based method for prediction of drug side effects with heterogeneous information

Mathematical biosciences, 2018-12, Vol.306, p.136-144

2018

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Data mining and systematic pharmacology to reveal the mechanisms of traditional Chinese medicine in Mycoplasma pneumoniae pneumonia treatment

Biomedicine & pharmacotherapy, 2020-05, Vol.125, p.109900-109900, Article 109900

2020

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High hepatitis C treatment uptake among people with recent drug dependence in New South Wales, Australia

Journal of hepatology, 2021-02, Vol.74 (2), p.293-302

2021

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Active-learning strategies in computer-assisted drug discovery

Drug discovery today, 2015-04, Vol.20 (4), p.458-465

2015

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Recent developments in pharmaceutical salts: FDA approvals from 2015 to 2019

Drug discovery today, 2021-02, Vol.26 (2), p.384-398

Bharate, Sonali S.

2021

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BE-DTI’: Ensemble framework for drug target interaction prediction using dimensionality reduction and active learning

Computer methods and programs in biomedicine, 2018-10, Vol.165, p.151-162

2018

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Mining heterogeneous network for drug repositioning using phenotypic information extracted from social media and pharmaceutical databases

Artificial intelligence in medicine, 2019-05, Vol.96, p.80-92

2019

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Expanding the medicinally relevant chemical space with compound libraries

Drug discovery today, 2012-07, Vol.17 (13-14), p.718-726

2012

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Intravitreal clearance and volume of distribution of compounds in rabbits: In silico prediction and pharmacokinetic simulations for drug development

European journal of pharmaceutics and biopharmaceutics, 2015-09, Vol.95 (Pt B), p.215-226

2015

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PDC-SGB: Prediction of effective drug combinations using a stochastic gradient boosting algorithm

Journal of theoretical biology, 2017-03, Vol.417, p.1-7

2017

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LogP, a yesterday's value?

Nuclear medicine and biology, 2017-07, Vol.50, p.1-10

2017

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Assessing the public landscape of clinical-stage pharmaceuticals through freely available online databases

Drug discovery today, 2019-04, Vol.24 (4), p.1010-1016

2019

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DTNPD: A comprehensive database of drugs and targets for neurological and psychiatric disorders

Computers in biology and medicine, 2024-06, Vol.175, p.108536-108536, Article 108536

2024

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Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitors

Methods (San Diego, Calif.), 2024-05, Vol.225, p.44-51

2024

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Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis

European journal of pharmaceutical sciences, 2017-08, Vol.106, p.94-101

2017

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Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2

Journal of molecular graphics & modelling, 2020-12, Vol.101, p.107716-107716, Article 107716

2020

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Discovery of the FDA-approved drugs bexarotene, cetilistat, diiodohydroxyquinoline, and abiraterone as potential COVID-19 treatments with a robust two-tier screening system

Pharmacological research, 2020-09, Vol.159, p.104960-104960, Article 104960

2020

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An annotated corpus from biomedical articles to construct a drug-food interaction database

Journal of biomedical informatics, 2022-02, Vol.126, p.103985-103985, Article 103985

2022

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SuperTCM: A biocultural database combining biological pathways and historical linguistic data of Chinese Materia Medica for drug development

Biomedicine & pharmacotherapy, 2021-12, Vol.144, p.112315-112315, Article 112315

2021

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A network pharmacology-based strategy for predicting anti-inflammatory targets of ephedra in treating asthma

International immunopharmacology, 2020-06, Vol.83, p.106423-106423, Article 106423

2020

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Activity cliffs produced by single-atom modification of active compounds: Systematic identification and rationalization based on X-ray structures

European journal of medicinal chemistry, 2020-12, Vol.207, p.112846, Article 112846

2020

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Lessons learnt from the DDIExtraction-2013 Shared Task

Journal of biomedical informatics, 2014-10, Vol.51, p.152-164

2014

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In-silico screening of database for finding potential sweet molecules: A combined data and structure based modeling approach

Food chemistry, 2021-05, Vol.343, p.128538-128538, Article 128538

2021

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Drug databases and their contributions to drug repurposing

A similarity-based method for prediction of drug side effects with heterogeneous information

Data mining and systematic pharmacology to reveal the mechanisms of traditional Chinese medicine in Mycoplasma pneumoniae pneumonia treatment

High hepatitis C treatment uptake among people with recent drug dependence in New South Wales, Australia

Active-learning strategies in computer-assisted drug discovery

An Interactive Resource to Identify Cancer Genetic and Lineage Dependencies Targeted by Small Molecules

Recent developments in pharmaceutical salts: FDA approvals from 2015 to 2019

BE-DTI’: Ensemble framework for drug target interaction prediction using dimensionality reduction and active learning

Mining heterogeneous network for drug repositioning using phenotypic information extracted from social media and pharmaceutical databases

Expanding the medicinally relevant chemical space with compound libraries

Intravitreal clearance and volume of distribution of compounds in rabbits: In silico prediction and pharmacokinetic simulations for drug development

PDC-SGB: Prediction of effective drug combinations using a stochastic gradient boosting algorithm

LogP, a yesterday's value?

Assessing the public landscape of clinical-stage pharmaceuticals through freely available online databases

DTNPD: A comprehensive database of drugs and targets for neurological and psychiatric disorders

Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitors

Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis

Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2

Discovery of the FDA-approved drugs bexarotene, cetilistat, diiodohydroxyquinoline, and abiraterone as potential COVID-19 treatments with a robust two-tier screening system

An annotated corpus from biomedical articles to construct a drug-food interaction database

SuperTCM: A biocultural database combining biological pathways and historical linguistic data of Chinese Materia Medica for drug development

A network pharmacology-based strategy for predicting anti-inflammatory targets of ephedra in treating asthma

Activity cliffs produced by single-atom modification of active compounds: Systematic identification and rationalization based on X-ray structures

Lessons learnt from the DDIExtraction-2013 Shared Task

In-silico screening of database for finding potential sweet molecules: A combined data and structure based modeling approach

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