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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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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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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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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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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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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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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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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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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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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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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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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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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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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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RSK2 protects human breast cancer cells under endoplasmic reticulum stress through activating AMPKα2-mediated autophagy

Oncogene, 2020-10, Vol.39 (43), p.6704-6718

2020

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Computational Prediction of DrugTarget Interactions Using Chemical, Biological, and Network Features

Molecular informatics, 2014-10, Vol.33 (10), p.669-681

2014

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Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

Journal of cheminformatics, 2021-11, Vol.13 (1), p.86-86, Article 86

2021

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Model population analysis for variable selection

Journal of chemometrics, 2010-07, Vol.24 (7-8), p.418-423

2010

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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

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

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

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

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

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

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

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

Graph deep learning enabled spatial domains identification for spatial transcriptomics

Current advances in ligand‐based target prediction

new strategy of outlier detection for QSAR/QSPR

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

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

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

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

RSK2 protects human breast cancer cells under endoplasmic reticulum stress through activating AMPKα2-mediated autophagy

Computational Prediction of DrugTarget Interactions Using Chemical, Biological, and Network Features

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

Model population analysis for variable selection

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