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Recognizing Pitfalls in Virtual Screening: A Critical Review

Journal of chemical information and modeling, 2012-04, Vol.52 (4), p.867-881

2012

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Shifting from the single to the multitarget paradigm in drug discovery

Drug discovery today, 2013-05, Vol.18 (9-10), p.495-501

2013

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Editorial: In silico Methods for Drug Design and Discovery

Frontiers in chemistry, 2020-08, Vol.8, p.612-612

2020

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Epigenetic Target Fishing with Accurate Machine Learning Models

Journal of medicinal chemistry, 2021-06, Vol.64 (12), p.8208-8220

2021

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In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM

ACS omega, 2020-07, Vol.5 (26), p.16076-16084

2020

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Informatics for Chemistry, Biology, and Biomedical Sciences

Journal of chemical information and modeling, 2021-01, Vol.61 (1), p.26-35

2021

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Yes SIR! On the structure–inactivity relationships in drug discovery

Drug discovery today, 2022-08, Vol.27 (8), p.2353-2362

2022

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Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1550-1554

2021

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A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization

Molecular informatics, 2020-11, Vol.39 (11), p.e2000050-n/a

2020

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Molecular modeling studies of the novel inhibitors of DNA methyltransferases SGI-1027 and CBC12: implications for the mechanism of inhibition of DNMTs

PloS one, 2013-04, Vol.8 (4), p.e62152-e62152

2013

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From Qualitative to Quantitative Analysis of Activity and Property Landscapes

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5873-5880

2020

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Toward α‐1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6

Journal of cellular biochemistry, 2023-08, Vol.124 (8), p.1173-1185

2023

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Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches

Journal of chemical information and modeling, 2012-10, Vol.52 (10), p.2485-2493

Medina-Franco, José L

2012

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Chemical Multiverse: An Expanded View of Chemical Space

Molecular informatics, 2022-11, Vol.41 (11), p.e2200116-n/a

2022

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Recent progress on cheminformatics approaches to epigenetic drug discovery

Drug discovery today, 2020-12, Vol.25 (12), p.2268-2276

2020

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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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Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization

Journal of chemical information and modeling, 2019-01, Vol.59 (1), p.74-85

2019

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Chemical Multiverse and Diversity of Food Chemicals

Journal of chemical information and modeling, 2024-02, Vol.64 (4), p.1229-1244

2024

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Advances in the computational development of DNA methyltransferase inhibitors

Drug discovery today, 2011-05, Vol.16 (9), p.418-425

2011

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Activity Cliffs: Facts or Artifacts?

Chemical biology & drug design, 2013-05, Vol.81 (5), p.553-556

Medina-Franco, José L.

2013

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Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components

International journal of molecular sciences, 2020-07, Vol.21 (14), p.4988

2020

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Exploring activity landscapes with extended similarity: is Tanimoto enough?

Molecular informatics, 2023-07, Vol.42 (7), p.e2300056-n/a

2023

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Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure–Activity Relationships

Journal of chemical information and modeling, 2017-03, Vol.57 (3), p.397-402

2017

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7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1

Molecules (Basel, Switzerland), 2022-04, Vol.27 (9), p.2892

2022

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Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine

Molecular informatics, 2021-11, Vol.40 (11), p.e2100172-n/a

2021

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Recognizing Pitfalls in Virtual Screening: A Critical Review

Shifting from the single to the multitarget paradigm in drug discovery

Editorial: In silico Methods for Drug Design and Discovery

Epigenetic Target Fishing with Accurate Machine Learning Models

In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM

Informatics for Chemistry, Biology, and Biomedical Sciences

Yes SIR! On the structure–inactivity relationships in drug discovery

Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules

A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization

Molecular modeling studies of the novel inhibitors of DNA methyltransferases SGI-1027 and CBC12: implications for the mechanism of inhibition of DNMTs

From Qualitative to Quantitative Analysis of Activity and Property Landscapes

Toward α‐1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6

Scanning Structure–Activity Relationships with Structure–Activity Similarity and Related Maps: From Consensus Activity Cliffs to Selectivity Switches

Chemical Multiverse: An Expanded View of Chemical Space

Recent progress on cheminformatics approaches to epigenetic drug discovery

Expanding the medicinally relevant chemical space with compound libraries

Chemical Space and Diversity of the NuBBE Database: A Chemoinformatic Characterization

Chemical Multiverse and Diversity of Food Chemicals

Advances in the computational development of DNA methyltransferase inhibitors

Activity Cliffs: Facts or Artifacts?

Lessons from Exploring Chemical Space and Chemical Diversity of Propolis Components

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure–Activity Relationships

7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries Are Potent and Selective Inhibitors of DNA Methyltransferase 1

Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine

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