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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

Journal of cheminformatics, 2018-06, Vol.10 (1), p.29-11, Article 29

2018

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propy: a tool to generate various modes of Chou's PseAAC

Bioinformatics, 2013-04, Vol.29 (7), p.960-962

2013

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PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions

Journal of cheminformatics, 2018-03, Vol.10 (1), p.16-16, Article 16

2018

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TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

Journal of computer-aided molecular design, 2016-05, Vol.30 (5), p.413-424

2016

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ChemoPy: freely available python package for computational biology and chemoinformatics

Bioinformatics, 2013-04, Vol.29 (8), p.1092-1094

2013

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The ups and downs of Poly(ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction

European journal of medicinal chemistry, 2020-10, Vol.203, p.112570-112570, Article 112570

2020

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ADME Properties Evaluation in Drug Discovery: Prediction of Caco‑2 Cell Permeability Using a Combination of NSGA-II and Boosting

Journal of chemical information and modeling, 2016-04, Vol.56 (4), p.763-773

2016

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Comprehensive evaluation of deep and graph learning on drug–drug interactions prediction

Briefings in bioinformatics, 2023-07, Vol.24 (4)

2023

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ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

Journal of cheminformatics, 2015-12, Vol.7 (1), Article 60

2015

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A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease

PloS one, 2014-03, Vol.9 (3), p.e89123-e89123

2014

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Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

Journal of chemical information and modeling, 2020-09, Vol.60 (9), p.4216-4230

2020

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The effectiveness of propranolol in treating infantile haemangiomas: a meta‐analysis including 35 studies

British journal of clinical pharmacology, 2014-07, Vol.78 (1), p.44-57

2014

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Improving structure-based virtual screening performance via learning from scoring function components

Briefings in bioinformatics, 2021-05, Vol.22 (3)

2021

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Graph deep learning enabled spatial domains identification for spatial transcriptomics

Briefings in bioinformatics, 2023-05, Vol.24 (3)

2023

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HAMdb: a database of human autophagy modulators with specific pathway and disease information

Journal of cheminformatics, 2018-07, Vol.10 (1), p.34-8, Article 34

2018

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Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?

Briefings in bioinformatics, 2023-03, Vol.24 (2)

2023

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Current advances in ligand‐based target prediction

Wiley interdisciplinary reviews. Computational molecular science, 2021-05, Vol.11 (3), p.e1504-n/a

2021

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ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

Briefings in bioinformatics, 2022-03, Vol.23 (2)

2022

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new strategy of outlier detection for QSAR/QSPR

Journal of computational chemistry, 2010-02, Vol.31 (3), p.592-602

2010

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BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution

Briefings in bioinformatics, 2022-01, Vol.23 (1)

2022

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Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes

Journal of cheminformatics, 2022-04, Vol.14 (1), p.23-23, Article 23

2022

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An overview of variable selection methods in multivariate analysis of near-infrared spectra

TrAC, Trends in analytical chemistry (Regular ed.), 2019-04, Vol.113, p.102-115

2019

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ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization

Briefings in bioinformatics, 2024-03, Vol.25 (2)

2024

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DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications

Briefings in bioinformatics, 2023-07, Vol.24 (4)

2023

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Reducing false positive rate of docking-based virtual screening by active learning

Briefings in bioinformatics, 2023-01, Vol.24 (1)

2023

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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

propy: a tool to generate various modes of Chou's PseAAC

PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions

TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models

ChemoPy: freely available python package for computational biology and chemoinformatics

The ups and downs of Poly(ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction

ADME Properties Evaluation in Drug Discovery: Prediction of Caco‑2 Cell Permeability Using a Combination of NSGA-II and Boosting

Comprehensive evaluation of deep and graph learning on drug–drug interactions prediction

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation

A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

The effectiveness of propranolol in treating infantile haemangiomas: a meta‐analysis including 35 studies

Improving structure-based virtual screening performance via learning from scoring function components

Graph deep learning enabled spatial domains identification for spatial transcriptomics

HAMdb: a database of human autophagy modulators with specific pathway and disease information

Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?

Current advances in ligand‐based target prediction

ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

new strategy of outlier detection for QSAR/QSPR

BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes

An overview of variable selection methods in multivariate analysis of near-infrared spectra

ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization

DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications

Reducing false positive rate of docking-based virtual screening by active learning

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